openff.interchange.interop.openmm.to_openmm
- openff.interchange.interop.openmm.to_openmm(openff_sys, combine_nonbonded_forces: bool = False, add_constrained_forces: bool = False) System [source]
Convert an Interchange to an OpenmM System.
- Parameters
openff_sys (openff.interchange.Interchange) – An OpenFF Interchange object
combine_nonbonded_forces (bool, default=False) – If True, an attempt will be made to combine all non-bonded interactions into a single openmm.NonbondedForce. If False, non-bonded interactions will be split across multiple forces.
add_constrained_forces (bool, default=False,) – If True, add valence forces that might be overridden by constraints, i.e. call addBond or addAngle on a bond or angle that is fully constrained.
- Returns
openmm_sys – The corresponding OpenMM System object
- Return type
openmm.System