Mercurial > repos > chemteam > gmx_solvate

diff test-data/outp.xvg @ 15:97b2c06ae168 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 2f3d14b4f200100881e362b0f3b97f0e8a36d1f3"
author chemteam
date Wed, 29 Sep 2021 07:40:34 +0000
parents 27ea4e1a3f95
children 598e0078040b
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line diff
--- a/test-data/outp.xvg	Wed Jan 13 10:26:35 2021 +0000
+++ b/test-data/outp.xvg	Wed Sep 29 07:40:34 2021 +0000
@@ -1,15 +1,15 @@
-# This file was created Tue May 19 15:42:53 2020
+# This file was created Mon Jun  7 09:13:14 2021
 # Created by:
-#                      :-) GROMACS - gmx energy, 2019.1 (-:
+#                 :-) GROMACS - gmx energy, 2021.1-MODIFIED (-:
 # 
-# Executable:   /home/simon/miniconda3/envs/__gromacs@2019.1/bin/gmx
-# Data prefix:  /home/simon/miniconda3/envs/__gromacs@2019.1
-# Working dir:  /tmp/tmprwcs9m2t/job_working_directory/000/17/working
+# Executable:   /home/runner/miniconda3/envs/__gromacs@2021.1/bin.AVX2_256/gmx
+# Data prefix:  /home/runner/miniconda3/envs/__gromacs@2021.1
+# Working dir:  /tmp/tmpc3_9dc8m/job_working_directory/000/13/working
 # Command line:
 #   gmx energy -f ./edr_input.edr -o ./energy.xvg
 # gmx energy is part of G R O M A C S:
 #
-# GROningen Mixture of Alchemy and Childrens' Stories
+# Glycine aRginine prOline Methionine Alanine Cystine Serine
 #
 @    title "GROMACS Energies"
 @    xaxis  label "Time (ps)"