annotate test-data/NEQGamma_ofrict.txt @ 2:e0ecaf2d05fb draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:39:27 +0000
parents 078dfd7fb26d
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
2
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
1 #x ACF frict_coeff gauss_filtered_frict_coeff av_window_frict_coeff
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
2 0.00000000 439653.22756622 0.00000000 39.85704130 -164.30975524
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
3 0.00000200 41861.51118060 -309.80490686 39.90128147 -42.50284457
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
4 0.00000400 -4760.58383990 -1433.31122481 39.98937507 132.75776205
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
5 0.00000600 -52063.97568219 -1302.42266399 40.10796653 273.24484877
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
6 0.00000800 -94137.43307581 -696.00283593 40.26787861 322.90057440
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
7 0.00001000 -109240.44374298 59.67135417 40.47438205 310.49706801
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
8 0.00001200 -91296.29474097 200.26534006 40.74119359 300.71687201
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
9 0.00001400 -42279.73264591 -211.00314767 41.08344474 307.77939795
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
10 0.00001600 29083.13222726 -299.86397145 41.51045417 289.59363364
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
11 0.00001800 100957.95082594 706.27695160 42.02391473 213.62523715
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
12 0.00002000 150492.32652407 2436.13821354 42.62185633 115.80351000
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
13 0.00002200 163610.52308989 3505.21213240 43.30185229 72.52474633
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
14 0.00002400 137798.21546909 2809.74173435 44.06395945 119.32042200
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
15 0.00002600 86552.97296922 993.11451262 44.91354630 219.23877027
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
16 0.00002800 30065.89230936 -248.07012791 45.85833909 214.16642537
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
17 0.00003000 -15271.83960767 -195.60392001 46.90428227 107.42336841
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
18 0.00003200 -41143.37576909 141.25051892 48.05595140 -10.23715919
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
19 0.00003400 -45603.75654834 -363.71528632 49.31891708 -41.13071129
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
20 0.00003600 -31933.14574422 -1519.36792976 50.67717643 11.13789839
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
21 0.00003800 -11580.24564270 -1956.43454302 52.14035913 47.86749694
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
22 0.00004000 1795.96943076 -865.57527338 53.69638462 -13.42971260
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
23 0.00004200 -6069.40567724 626.10860652 55.34660090 -151.70147237
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
24 0.00004400 -36605.44103603 565.05574074 57.08967355 -284.06117371
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
25 0.00004600 -88409.03954732 -1403.86956218 58.91185508 -352.46208669
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
26 0.00004800 -119187.64656330 -2830.86397506 60.79652934 -358.13736161
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
27 0.00005000 -126958.63383213 -2293.53919791 62.72537859 -329.02117947
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
28 0.00005200 -105144.23378691 -417.60570188 64.67974189 -286.64057459
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
29 0.00005400 -57578.18477311 834.36904591 66.64059843 -231.16675138
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
30 0.00005600 7642.76668942 434.72799961 68.58976595 -160.41908396
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
31 0.00005800 73314.58537446 -519.66723923 70.51136345 -97.11322986
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
32 0.00006000 117239.42596973 -329.29698187 72.38916035 -71.95507125
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
33 0.00006200 122335.84589389 858.01810556 74.20116994 -72.69735215
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
34 0.00006400 90700.59252948 1441.72347492 75.92201577 -50.06936146
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
35 0.00006600 40928.26316446 879.60901414 77.52654008 55.63484244
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
36 0.00006800 -3181.66487546 334.25351485 78.99192675 197.17614864
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
37 0.00007000 -31227.72623817 652.00817770 80.29696328 378.84255238
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
38 0.00007200 -43642.08135556 1250.72698300 81.42019653 507.21229626
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
39 0.00007400 -37578.91493866 1051.23806218 82.34208812 533.01944777
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
40 0.00007600 -9313.59450148 -253.25084775 83.04041098 497.57963010
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
41 0.00007800 35606.42432047 -1453.27137086 83.53076487 484.49556872
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
42 0.00008000 74825.06321773 -880.42089139 83.79365831 512.38603041
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
43 0.00008200 87450.95751560 1078.66842032 83.81028733 508.57269634
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
44 0.00008400 84964.54130532 2679.13981866 83.55962529 417.18682766
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
45 0.00008600 33723.38650302 1426.95656188 83.03964822 275.01069883
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
46 0.00008800 26888.00526112 802.46409967 82.26457780 159.07974622
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
47 0.00009000 15764.22367820 273.85567979 81.25039304 86.68872404
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
48 0.00009200 -1018.04050367 98.53732822 80.00383608 19.95207715
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
49 0.00009400 -18778.21955924 125.57269254 78.52437737 -55.26075096
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
50 0.00009600 -25696.85381088 173.04677203 76.81790266 -95.82294253
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
51 0.00009800 -19020.27963144 38.14199457 74.90534804 -40.08283716
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
52 0.00010000 -13853.36236626 -405.56366316 72.81359766 112.25327202
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
53 0.00010200 -22360.23253615 -969.69926808 70.56500733 263.50051564
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
54 0.00010400 -39525.81005506 -1401.79910164 68.18385377 320.37515633
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
55 0.00010600 -47887.23125912 -1439.01003806 65.70767268 323.43291333
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
56 0.00010800 -38703.50620624 -1113.56692890 63.18337712 284.23466280
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
57 0.00011000 -15756.47051989 -682.72476001 60.65377002 277.77044438
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
58 0.00011200 10148.75573217 -253.52957929 58.15278984 250.27515323
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
59 0.00011400 32489.76783313 239.99423089 55.71193773 178.79248872
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
60 0.00011600 48846.14416151 861.55125965 53.36798832 70.38368037
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
61 0.00011800 60211.15804332 1593.45081266 51.19169051 -55.24610237
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
62 0.00012000 64597.66151097 2144.52398093 49.22113114 -170.30467384
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
63 0.00012200 58795.32774769 2216.16123424 47.49918918 -248.93156307
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
64 0.00012400 63226.50291119 2740.29495857 46.05677747 -270.24081648
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
65 0.00012600 7112.67333129 642.99155129 44.93086250 -206.96775261
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
66 0.00012800 4737.67676382 673.17973142 44.16608448 -50.37244372
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
67 0.00013000 -10629.83066809 -276.05014319 43.80477020 154.04681427
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
68 0.00013200 -24445.08596782 -1331.11596207 43.87860095 320.32723893
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
69 0.00013400 -38089.44576760 -2042.60347448 44.40990189 378.66585808
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
70 0.00013600 -53888.48385453 -2339.54888278 45.42258092 320.31441637
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
71 0.00013800 -65525.93331796 -2263.02943488 46.94717499 192.76961767
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
72 0.00014000 -66605.80950981 -1978.10144773 49.01173919 46.49351043
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
73 0.00014200 -59461.87405093 -1395.88433631 51.62964197 -100.43225450
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
74 0.00014400 -50082.83777468 -136.33782409 54.79891493 -258.31822307
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
75 0.00014600 -36265.73051644 1692.89613965 58.50910094 -447.27992440
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
76 0.00014800 -11065.11218743 2974.81823090 62.74931610 -601.98154580
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
77 0.00015000 24574.77396976 2642.88373319 67.50830566 -716.60080679
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
78 0.00015200 53704.30727291 913.24280375 72.76914377 -754.65637852
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
79 0.00015400 62641.21173742 -927.03460327 78.50486320 -713.36174226
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
80 0.00015600 50475.22167026 -1689.34471443 84.67941051 -602.77004154
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
81 0.00015800 27415.48879178 -1332.07133205 91.25069147 -429.82867913
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
82 0.00016000 659.52027909 -793.99131765 98.16114225 -214.90982911
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
83 0.00016200 -27358.17056213 -941.55813718 105.35683648 -1.93703392
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
84 0.00016400 -36359.81639946 -1038.93906805 112.78930315 141.63166343
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
85 0.00016600 -103478.83628142 -2451.04087672 120.41222030 155.07119820
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
86 0.00016800 -98122.08801466 -1619.20548854 128.15466148 39.58301004
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
87 0.00017000 -91470.31369949 -1037.16157762 135.94071127 -128.72347744
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
88 0.00017200 -70167.76251890 -505.22323695 143.69516807 -240.17685720
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
89 0.00017400 -43298.45234300 169.23053990 151.35171103 -223.11938998
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
90 0.00017600 -13147.13005351 1119.27836540 158.84649112 -87.45006406
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
91 0.00017800 13812.88135432 2035.34756564 166.10612536 85.27603300
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
92 0.00018000 29405.90836664 2281.35445610 173.04701036 209.91332866
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
93 0.00018200 27785.78282904 1475.48961051 179.59291666 253.65425754
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
94 0.00018400 16400.24253711 132.45287134 185.68841711 300.73216440
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
95 0.00018600 5032.51740518 -616.86762340 191.28914198 352.67911780
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
96 0.00018800 -684.42414340 -391.31151887 196.34017758 475.23116164
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
97 0.00019000 -2606.74806622 413.81613798 200.77390679 556.19143606
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
98 0.00019200 -4228.75142469 1254.39214820 204.53041970 608.04951495
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
99 0.00019400 -2944.53596867 1786.35191510 207.57544804 633.31067679
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
100 0.00019600 4064.05842526 1765.17722675 209.89395091 624.84914980
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
101 0.00019800 11878.81314410 1160.67458116 211.46967661 568.88523153
e0ecaf2d05fb "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
chemteam
parents: 1
diff changeset
102 0.00020000 12188.47862387 80.82726004 212.27097983 467.11785325