schrodinger.application.desmond.packages.gdesmond_utils module
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schrodinger.application.desmond.packages.gdesmond_utils.
generate_config
(ensemble, bootfile, lastime=10.0, gpu=True, dsmworkdir=None, additional_config=None)
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schrodinger.application.desmond.packages.gdesmond_utils.
parse_eneseq
(filename)
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schrodinger.application.desmond.packages.gdesmond_utils.
compare_eneseq
(edict1, edict2)
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schrodinger.application.desmond.packages.gdesmond_utils.
run_desmond
(configfile, gpu=True, additional_config=None, verbose=False)