openff-interchange documentation

openff.interchange.interop.openmm.to_openmm

openff.interchange.interop.openmm.to_openmm(openff_sys, combine_nonbonded_forces: bool = False) → openmm.openmm.System

Convert an Interchange to a ParmEd Structure.

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.

Returns

openmm_sys – The corresponding OpenMM System object

Return type

openmm.System