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view test-data/posre_cl.itp @ 20:4c4f1761d31f draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 8660ff51cd1a65b04f862562957592fe152fc81d
author chemteam
date Tue, 12 Jul 2022 12:50:04 +0000
parents a97dcfc23b4b
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[ position_restraints ]
;  i funct       fcx        fcy        fcz
  93    1        500        600        700
  94    1        500        600        700