Mercurial > repos > chemteam > gmx_restraints

diff test-data/posre_cl.itp @ 0:72c2b7992c26 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author chemteam
date Wed, 20 Nov 2019 11:14:52 -0500
parents
children ca6a4740114e
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Wed Nov 20 11:14:52 2019 -0500
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+; position restraints for CL of LYSOZYME in water
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+38369    1        500        600        700
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