use pbc for internalNonbonded force#53
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JohannesKarwou wants to merge 1 commit intoopenmm:mainfrom
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Thanks! Have you verified that this fixes the problem in you case? |
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As suggested here #52 (comment), I added
setUsesPeriodicBoundaryConditions(True)for the internalNonbonded Force in thecustomCVforce to account for PBC if needed.