Commit 95b6034b authored by Jason Swails's avatar Jason Swails
Browse files

Add a comment to clarify that calling setReactionFieldDielectric on force

instead of gb is intentional.
parent f7b98d01
......@@ -829,6 +829,8 @@ def readAmberSystem(prmtop_filename=None, prmtop_loader=None, shake=None, gbmode
gb.setCutoffDistance(nonbondedCutoff)
else:
raise Exception("Illegal nonbonded method for use with GBSA")
# This applies the reaction field dielectric to the NonbondedForce
# created above. Do not bind force to another name before this!
force.setReactionFieldDielectric(1.0)
# TODO: Add GBVI terms?
......
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