narupa.ase.openmm.cli module

Command line interface for running an interactive OpenMM simulation with ASE. Run with:

If the module is installed with pip, run with: .. code bash

narupa-omm-ase neuraminidase.xml

narupa.ase.openmm.cli.handle_user_arguments(args=None) → argparse.Namespace

Parse the arguments from the command line.

Returns:The namespace of arguments read from the command line.

narupa.ase.openmm.cli.initialise(args=None)

narupa.ase.openmm.cli.main()

Entry point for the command line.