diff test-data/pull2.xvg @ 1:078dfd7fb26d draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author chemteam
date Fri, 11 Sep 2020 21:55:13 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pull2.xvg	Fri Sep 11 21:55:13 2020 +0000
@@ -0,0 +1,118 @@
+# 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
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+0.0140	-1025.71
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+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
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+0.0900	951.843
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+0.0940	418.322
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+0.0980	-449.703
+0.1000	-559.593
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+0.1040	98.9362
+0.1060	546.434
+0.1080	882.254
+0.1100	1007.2
+0.1120	882.558
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+0.1160	148.665
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+0.1500	2105.1
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+0.1980	319.342
+0.2000	-63.7999