Mercurial > repos > chemteam > gmx_solvate

diff test-data/topol_solv.top @ 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
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--- a/test-data/topol_solv.top	Wed Jan 13 10:26:35 2021 +0000
+++ b/test-data/topol_solv.top	Wed Sep 29 07:40:34 2021 +0000
@@ -907,4 +907,6 @@
 [ molecules ]
 ; Compound        #mols
 Protein             1
-CL               2
+SOL         2130
+NA               41
+CL               43