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.