Use with OpenMM

An Interchange object can be converted to an openmm.System object with Interchange.to_openmm().

openmm_sys = interchange.to_openmm()

By default, this will separate non-bonded interactions into several different openmm.Force objects. To combine everything into a single openmm.NonbondedForce, use the combine_nonbonded_forces=True argument.