comparison test-data/pull1.xvg @ 2:6f2029791c94 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"

2:6f2029791c94

# 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