annotate test-data/pull2.xvg @ 3:9ca30ad95444 draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"

# 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