Add a comment to clarify that calling setReactionFieldDielectric on force

instead of gb is intentional.

Add a comment to clarify that calling setReactionFieldDielectric on force
instead of gb is intentional.
95b6034b · Jason Swails · f7b98d01 · 95b6034b
Commit 95b6034b authored Oct 14, 2013 by Jason Swails
Show whitespace changes
Inline Side-by-side

Showing with 2 additions and 0 deletions

wrappers/python/simtk/openmm/app/internal/amber_file_parser.py ...ers/python/simtk/openmm/app/internal/amber_file_parser.py +2 -0

No files found.
--- a/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
+++ b/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
@@ -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?