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diff test-data/posre_cl.itp @ 0:bb0053c4e4f2 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 03127e495a0a1a022928c1a03527974c9e81b5a1"
author chemteam
date Tue, 21 Jan 2020 07:29:43 -0500
parents
children 9363254ef848
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Tue Jan 21 07:29:43 2020 -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
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