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comparison test-data/9.grompp_preprocess_energymin.json @ 2:4c626e984fde draft default tip

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author spanish_national_institue_of_bioinformatics
date Fri, 12 Apr 2019 07:18:48 -0400
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1:21a0f28aea68 2:4c626e984fde
1 {"mdp": {"type":"minimization", "nsteps":"500", "emtol":"500"}}