Module fep_plus

FEP+ generator Version 0.1

Functions

_find_checkpoint_file()

parse_checkpoint_file(cpt_fname)

find_stage(stages, *stage_name)

find_stage_number(stages, stage_name)

tar_multisim_stage(raw_in, multisim_stage_dname, multisim_stage_data_fname, multisim_stage=None)

generate(raw_in)

Variables

__doc__ = ...

__package__ = 'schrodinger.application.desmond.starter.generator'

Variables Details

Value:

"""
FEP+ generator
Version 0.1

Copyright Schrodinger, LLC. All rights reserved.
"""