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Add `allow_nonintegral_charges` optional argument to enable user-provided nonintegral charges

Open jchodera opened this issue 3 years ago • 0 comments

cc: https://github.com/openmm/openmm/issues/3678

There is a use case for adding an optional allow_nonintegral_charges argument that could be passed to ForceField.create_openmm_system in the OpenFF toolkit to permit users with manually-provided non-integral charges to still use this workflow.

jchodera avatar Jul 03 '22 20:07 jchodera