Mercurial > repos > chemteam > biomd_extract_clusters
view test-data/pull2.xvg @ 2:e0ecaf2d05fb 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 19:39:27 +0000 |
parents | 078dfd7fb26d |
children |
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# This file was created Sat Jan 11 15:14:02 2020 # Created by: # :-) GROMACS - gmx mdrun, 2019.1 (-: # # Executable: /usr/local/bin/gmx # Data prefix: /usr/local # Working dir: /data/share/staging/6673627/working # Command line: # gmx mdrun -nt 16 -deffnm outp # gmx mdrun is part of G R O M A C S: # # GROup of MAchos and Cynical Suckers # @ title "Pull force" @ xaxis label "Time (ps)" @ yaxis label "Force (kJ/mol/nm)" @TYPE xy 0.0000 -5098.38 0.0020 -63.1292 0.0040 -58.0201 0.0060 -567.151 0.0080 -915.192 0.0100 -1147.66 0.0120 -1194.57 0.0140 -1025.71 0.0160 -619.358 0.0180 -30.7206 0.0200 628.788 0.0220 1186.76 0.0240 1499.87 0.0260 1501.01 0.0280 1225.59 0.0300 728.864 0.0320 73.4782 0.0340 -609.651 0.0360 -1241.19 0.0380 -1714.09 0.0400 -1926.53 0.0420 -1825.85 0.0440 -1343.11 0.0460 -875.662 0.0480 -137.674 0.0500 424.689 0.0520 813.554 0.0540 1028.83 0.0560 1080.86 0.0580 1012.46 0.0600 876.583 0.0620 713.725 0.0640 570.333 0.0660 475.042 0.0680 392.949 0.0700 224.142 0.0720 -50.0798 0.0740 -394.081 0.0760 -697.375 0.0780 -847.788 0.0800 -757.177 0.0820 -440.838 0.0840 160.155 0.0860 304.292 0.0880 804.365 0.0900 951.843 0.0920 801.215 0.0940 418.322 0.0960 -64.6304 0.0980 -449.703 0.1000 -559.593 0.1020 -338.869 0.1040 98.9362 0.1060 546.434 0.1080 882.254 0.1100 1007.2 0.1120 882.558 0.1140 546.07 0.1160 148.665 0.1180 -57.5016 0.1200 49.9737 0.1220 409.28 0.1240 1040.8 0.1260 684.824 0.1280 692.54 0.1300 134.317 0.1320 -629.767 0.1340 -1376.01 0.1360 -1941.02 0.1380 -2059.37 0.1400 -1616.22 0.1420 -670.138 0.1440 475.235 0.1460 1491.31 0.1480 2085.01 0.1500 2105.1 0.1520 1531.93 0.1540 553.708 0.1560 -497.426 0.1580 -1283.86 0.1600 -1568.59 0.1620 -1327.71 0.1640 -455.275 0.1660 -393.621 0.1680 265.539 0.1700 336.479 0.1720 66.7614 0.1740 -435.565 0.1760 -1029.08 0.1780 -1534.97 0.1800 -1795.16 0.1820 -1760.74 0.1840 -1399.95 0.1860 -849.902 0.1880 -285.645 0.1900 176.529 0.1920 484.836 0.1940 615.295 0.1960 570.901 0.1980 319.342 0.2000 -63.7999