Mercurial > repos > chemteam > gmx_restraints

diff test-data/posre_cl.itp @ 0:026b682792f1 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 16:07:55 +0000
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children 759d3d759de0
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Wed Nov 20 16:07:55 2019 +0000
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+; 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
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+38376    1        500        600        700