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

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author chemteam
date Fri, 11 Sep 2020 21:55:57 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pull1.xvg	Fri Sep 11 21:55:57 2020 +0000
@@ -0,0 +1,118 @@
+# 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
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+0.1320	11.4089
+0.1340	13.1112
+0.1360	-276.636
+0.1380	-829.048
+0.1400	-1451.56
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+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