diff test-data/posres.itp @ 0:d97433b7d482 draft

planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posres.itp	Thu Oct 04 18:23:17 2018 -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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