Mercurial > repos > chemteam > gmx_energy

diff test-data/topol_solv.top @ 8:6dbf73a62977 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 07:43:04 +0000
parents c8d2c0162b6e
children
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--- a/test-data/topol_solv.top	Mon Nov 23 10:49:24 2020 +0000
+++ b/test-data/topol_solv.top	Wed Sep 29 07:43:04 2021 +0000
@@ -907,4 +907,6 @@
 [ molecules ]
 ; Compound        #mols
 Protein             1
-CL               2
+SOL         2130
+NA               41
+CL               43