diff test-data/pull3.xvg @ 2:6f2029791c94 draft

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

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pull3.xvg	Fri Sep 11 21:55:57 2020 +0000
@@ -0,0 +1,118 @@
+# 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