generate_custom_charges Command Help

Command: $SCHRODINGER/generate_custom_charges

usage: $SCHRODINGER/generate_custom_charges [-h] -imae IMAE -omae OMAE
                                            [-opls OPLS] [-pv]
                                            [-coord_property_basename COORD_PROPERTY_BASENAME]
                                            [-use_canonical_conformer]
                                            [-skip_preoptimization]

Workflow generating molecule specific charges.

Copyright Schrodinger LLC, All Rights Reserved.

options:
  -h, --help            show this help message and exit
  -imae IMAE            The Maestro input file.
  -omae OMAE            The Maestro output file.
  -opls OPLS            The force field opls version.
  -pv                   flag indicating that the Maestro input file is a pv
                        file.
  -coord_property_basename COORD_PROPERTY_BASENAME
                        use coordinates from specified atom property as
                        coordinates.
  -use_canonical_conformer
                        use the canonical conformer for charge fitting.
  -skip_preoptimization
                        skip the restrained preoptimization.