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view test-data/posre_cl.itp @ 22:b46d4b4d995c draft default tip

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 4bffc6aa89cd0e6d6435a6e571b3836eaab076f1
author chemteam
date Mon, 24 Oct 2022 22:33:25 +0000
parents 55918daa5651
children
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[ position_restraints ]
;  i funct       fcx        fcy        fcz
  93    1        500        600        700
  94    1        500        600        700