Mercurial > repos > chemteam > biomd_extract_clusters
comparison test-data/pull1.xvg @ 1:078dfd7fb26d draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author | chemteam |
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date | Fri, 11 Sep 2020 21:55:13 +0000 |
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0:ad49025ba90d | 1:078dfd7fb26d |
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1 # This file was created Sat Jan 11 15:16:55 2020 | |
2 # Created by: | |
3 # :-) GROMACS - gmx mdrun, 2019.1 (-: | |
4 # | |
5 # Executable: /usr/local/bin/gmx | |
6 # Data prefix: /usr/local | |
7 # Working dir: /data/share/staging/6673623/working | |
8 # Command line: | |
9 # gmx mdrun -nt 16 -deffnm outp | |
10 # gmx mdrun is part of G R O M A C S: | |
11 # | |
12 # God Rules Over Mankind, Animals, Cosmos and Such | |
13 # | |
14 @ title "Pull force" | |
15 @ xaxis label "Time (ps)" | |
16 @ yaxis label "Force (kJ/mol/nm)" | |
17 @TYPE xy | |
18 0.0000 6024.09 | |
19 0.0020 -1440.45 | |
20 0.0040 -2511.27 | |
21 0.0060 -2897.63 | |
22 0.0080 -2775.86 | |
23 0.0100 -1984.12 | |
24 0.0120 -692.582 | |
25 0.0140 749.852 | |
26 0.0160 1926.04 | |
27 0.0180 2521.88 | |
28 0.0200 2405.94 | |
29 0.0220 1618.47 | |
30 0.0240 312.892 | |
31 0.0260 -1146.03 | |
32 0.0280 -2331.23 | |
33 0.0300 -2868.38 | |
34 0.0320 -2634.84 | |
35 0.0340 -1742.36 | |
36 0.0360 -463.328 | |
37 0.0380 764.038 | |
38 0.0400 1581.21 | |
39 0.0420 1724.85 | |
40 0.0440 1203.93 | |
41 0.0460 119.215 | |
42 0.0480 -933.681 | |
43 0.0500 -1649.19 | |
44 0.0520 -1728.6 | |
45 0.0540 -1128.9 | |
46 0.0560 -43.2839 | |
47 0.0580 1061.76 | |
48 0.0600 1706.84 | |
49 0.0620 1632.03 | |
50 0.0640 886.953 | |
51 0.0660 -265.667 | |
52 0.0680 -1413.95 | |
53 0.0700 -2156.87 | |
54 0.0720 -2271.91 | |
55 0.0740 -1707.92 | |
56 0.0760 -561.06 | |
57 0.0780 847.304 | |
58 0.0800 1993.62 | |
59 0.0820 2439.33 | |
60 0.0840 2183.08 | |
61 0.0860 1162.58 | |
62 0.0880 245.372 | |
63 0.0900 -674.664 | |
64 0.0920 -1389.64 | |
65 0.0940 -1732.39 | |
66 0.0960 -1659.95 | |
67 0.0980 -1215.14 | |
68 0.1000 -560.687 | |
69 0.1020 56.7457 | |
70 0.1040 541.266 | |
71 0.1060 941.849 | |
72 0.1080 1290.27 | |
73 0.1100 1550.28 | |
74 0.1120 1620.82 | |
75 0.1140 1483.18 | |
76 0.1160 1200.91 | |
77 0.1180 835.327 | |
78 0.1200 414.748 | |
79 0.1220 -21.986 | |
80 0.1240 -268.239 | |
81 0.1260 -610.519 | |
82 0.1280 -419.701 | |
83 0.1300 -193.452 | |
84 0.1320 11.4089 | |
85 0.1340 13.1112 | |
86 0.1360 -276.636 | |
87 0.1380 -829.048 | |
88 0.1400 -1451.56 | |
89 0.1420 -1907.91 | |
90 0.1440 -1960.87 | |
91 0.1460 -1495.45 | |
92 0.1480 -590.751 | |
93 0.1500 498.442 | |
94 0.1520 1444.86 | |
95 0.1540 2030.3 | |
96 0.1560 2092.26 | |
97 0.1580 1656.44 | |
98 0.1600 859.3 | |
99 0.1620 14.6479 | |
100 0.1640 -438.284 | |
101 0.1660 -573.584 | |
102 0.1680 32.1338 | |
103 0.1700 805.322 | |
104 0.1720 1470.23 | |
105 0.1740 1733.74 | |
106 0.1760 1558.83 | |
107 0.1780 971.192 | |
108 0.1800 103.252 | |
109 0.1820 -825.594 | |
110 0.1840 -1427.63 | |
111 0.1860 -1342.79 | |
112 0.1880 -578.404 | |
113 0.1900 513.202 | |
114 0.1920 1414.83 | |
115 0.1940 1795.16 | |
116 0.1960 1584.51 | |
117 0.1980 877.231 | |
118 0.2000 -111.269 |