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view test-data/posre_cl.itp @ 3:6ac5f450ad31 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
author chemteam
date Fri, 08 May 2020 07:33:19 -0400
parents bb0053c4e4f2
children 9363254ef848
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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