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view test-data/posre_cl.itp @ 3:e69ce1e7fb6a 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 07:26:24 -0500
parents 7b23265126b0
children bfb65cb551d8
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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
38374    1        500        600        700
38375    1        500        600        700
38376    1        500        600        700