Fix Disable analytical dispersion correction for alchemical atoms
@@ -548,7 +548,7 @@ class AlchemicalPhase(object):
# Create alchemically-modified system using alchemical factory.
logger.debug("Creating alchemically-modified states...")
if alchemical_factory is None:
- alchemical_factory = mmtools.alchemy.AbsoluteAlchemicalFactory()
+ alchemical_factory = mmtools.alchemy.AbsoluteAlchemicalFactory(disable_alchemical_dispersion_correction=True)
alchemical_system = alchemical_factory.create_alchemical_system(thermodynamic_state.system,
alchemical_regions)
