comparison test-data/pull3.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 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