diff test-data/posres.itp @ 0:1a5960636405 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:48:44 -0400
parents
children a97dcfc23b4b
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posres.itp	Mon Oct 07 12:48:44 2019 -0400
@@ -0,0 +1,1008 @@
+; In this topology include file, you will find position restraint
+; entries for all the heavy atoms in your original pdb file.
+; This means that all the protons which were added by pdb2gmx are
+; not restrained.
+
+[ position_restraints ]
+; atom  type      fx      fy      fz
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