diff test-data/posre_cl.itp @ 6:c7bcae9fe040 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author chemteam
date Wed, 20 Nov 2019 11:16:14 -0500
parents
children 4da9ee404eab
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Wed Nov 20 11:16:14 2019 -0500
@@ -0,0 +1,12 @@
+; position restraints for CL of LYSOZYME in water
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+38369    1        500        600        700
+38370    1        500        600        700
+38371    1        500        600        700
+38372    1        500        600        700
+38373    1        500        600        700
+38374    1        500        600        700
+38375    1        500        600        700
+38376    1        500        600        700