Mercurial > repos > chemteam > fastpca
view test-data/pull3.xvg @ 3:9ca30ad95444 draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author | chemteam |
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date | Fri, 13 Nov 2020 19:37:55 +0000 |
parents | 6f2029791c94 |
children |
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# This file was created Sat Jan 11 11:17:19 2020 # Created by: # :-) GROMACS - gmx mdrun, 2019.1 (-: # # Executable: /usr/local/bin/gmx # Data prefix: /usr/local # Working dir: /data/share/staging/6671882/working # Command line: # gmx mdrun -nt 16 -deffnm outp # gmx mdrun is part of G R O M A C S: # # Gyas ROwers Mature At Cryogenic Speed # @ title "Pull force" @ xaxis label "Time (ps)" @ yaxis label "Force (kJ/mol/nm)" @TYPE xy 0.0000 -9835.61 0.0020 -1356.15 0.0040 -812.913 0.0060 -356.365 0.0080 279.129 0.0100 695.388 0.0120 760.799 0.0140 413.1 0.0160 -307.339 0.0180 -1119.04 0.0200 -1694.31 0.0220 -1857.34 0.0240 -1599.83 0.0260 -1103.08 0.0280 -590.412 0.0300 -216.222 0.0320 -59.4561 0.0340 -111.021 0.0360 -349.112 0.0380 -631.665 0.0400 -749.358 0.0420 -480.318 0.0440 251.563 0.0460 1193.69 0.0480 1913.5 0.0500 2185.92 0.0520 1987.19 0.0540 1406.94 0.0560 543.203 0.0580 -401.431 0.0600 -1124.73 0.0620 -1356.63 0.0640 -1090.51 0.0660 -579.76 0.0680 -169.391 0.0700 10.7899 0.0720 33.8781 0.0740 -114.673 0.0760 -468.487 0.0780 -956.942 0.0800 -1266.95 0.0820 -1152.33 0.0840 -799.059 0.0860 -57.2971 0.0880 86.3943 0.0900 82.0647 0.0920 63.9564 0.0940 41.5732 0.0960 -114.408 0.0980 -342.996 0.1000 -289.586 0.1020 234.269 0.1040 1023.25 0.1060 1617.73 0.1080 1778.66 0.1100 1502.41 0.1120 939.611 0.1140 235.798 0.1160 -441.056 0.1180 -924.133 0.1200 -1084.76 0.1220 -887.306 0.1240 -645.618 0.1260 98.3492 0.1280 215.697 0.1300 228.514 0.1320 68.9249 0.1340 -152.533 0.1360 -314.056 0.1380 -355.276 0.1400 -259.327 0.1420 62.6616 0.1440 610.851 0.1460 1166.95 0.1480 1376.27 0.1500 1070.22 0.1520 453.658 0.1540 -158.612 0.1560 -587.625 0.1580 -802.82 0.1600 -742.418 0.1620 -329.843 0.1640 260.255 0.1660 1563.85 0.1680 2099.99 0.1700 2283.79 0.1720 1921.29 0.1740 1159.2 0.1760 121.866 0.1780 -938.471 0.1800 -1713.03 0.1820 -1979.88 0.1840 -1729.61 0.1860 -1118.46 0.1880 -373.46 0.1900 343.756 0.1920 888.764 0.1940 1080.51 0.1960 841.869 0.1980 280.294 0.2000 -318.095