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view test-data/posre_cl.itp @ 8:5463ee41fe6b draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit d75a4b4a47d2a74aacb6d3ff90755f9a5289cfb1"
author chemteam
date Wed, 18 Dec 2019 15:28:04 -0500
parents c7bcae9fe040
children 4da9ee404eab
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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