Mercurial > repos > chemteam > fastpca
view test-data/pull1.xvg @ 2:6f2029791c94 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 21:55:57 +0000 |
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# This file was created Sat Jan 11 15:16:55 2020 # Created by: # :-) GROMACS - gmx mdrun, 2019.1 (-: # # Executable: /usr/local/bin/gmx # Data prefix: /usr/local # Working dir: /data/share/staging/6673623/working # Command line: # gmx mdrun -nt 16 -deffnm outp # gmx mdrun is part of G R O M A C S: # # God Rules Over Mankind, Animals, Cosmos and Such # @ title "Pull force" @ xaxis label "Time (ps)" @ yaxis label "Force (kJ/mol/nm)" @TYPE xy 0.0000 6024.09 0.0020 -1440.45 0.0040 -2511.27 0.0060 -2897.63 0.0080 -2775.86 0.0100 -1984.12 0.0120 -692.582 0.0140 749.852 0.0160 1926.04 0.0180 2521.88 0.0200 2405.94 0.0220 1618.47 0.0240 312.892 0.0260 -1146.03 0.0280 -2331.23 0.0300 -2868.38 0.0320 -2634.84 0.0340 -1742.36 0.0360 -463.328 0.0380 764.038 0.0400 1581.21 0.0420 1724.85 0.0440 1203.93 0.0460 119.215 0.0480 -933.681 0.0500 -1649.19 0.0520 -1728.6 0.0540 -1128.9 0.0560 -43.2839 0.0580 1061.76 0.0600 1706.84 0.0620 1632.03 0.0640 886.953 0.0660 -265.667 0.0680 -1413.95 0.0700 -2156.87 0.0720 -2271.91 0.0740 -1707.92 0.0760 -561.06 0.0780 847.304 0.0800 1993.62 0.0820 2439.33 0.0840 2183.08 0.0860 1162.58 0.0880 245.372 0.0900 -674.664 0.0920 -1389.64 0.0940 -1732.39 0.0960 -1659.95 0.0980 -1215.14 0.1000 -560.687 0.1020 56.7457 0.1040 541.266 0.1060 941.849 0.1080 1290.27 0.1100 1550.28 0.1120 1620.82 0.1140 1483.18 0.1160 1200.91 0.1180 835.327 0.1200 414.748 0.1220 -21.986 0.1240 -268.239 0.1260 -610.519 0.1280 -419.701 0.1300 -193.452 0.1320 11.4089 0.1340 13.1112 0.1360 -276.636 0.1380 -829.048 0.1400 -1451.56 0.1420 -1907.91 0.1440 -1960.87 0.1460 -1495.45 0.1480 -590.751 0.1500 498.442 0.1520 1444.86 0.1540 2030.3 0.1560 2092.26 0.1580 1656.44 0.1600 859.3 0.1620 14.6479 0.1640 -438.284 0.1660 -573.584 0.1680 32.1338 0.1700 805.322 0.1720 1470.23 0.1740 1733.74 0.1760 1558.83 0.1780 971.192 0.1800 103.252 0.1820 -825.594 0.1840 -1427.63 0.1860 -1342.79 0.1880 -578.404 0.1900 513.202 0.1920 1414.83 0.1940 1795.16 0.1960 1584.51 0.1980 877.231 0.2000 -111.269