Add warning about reaction field in AbsoluteAlchemicalFactory
@@ -1343,6 +1343,11 @@ class AbsoluteAlchemicalFactory(object):
nonbonded_method = reference_force.getNonbondedMethod()
+ # Warn about reaction field.
+ if nonbonded_method == openmm.NonbondedForce.CutoffPeriodic:
+ logger.warning('Reaction field support is still experimental. For free energy '
+ 'calculations in explicit solvent, we suggest using PME for now.')
+
# --------------------------------------------------
# Determine energy expression for all custom forces
# --------------------------------------------------
