Fixed bug in app where 'useDispersionCorrection' for AMOEBA was being cast to int instead of bool.

aac359dc · John Chodera (MSKCC) · 5ed9dd65 · aac359dc
Commit aac359dc authored May 04, 2014 by John Chodera (MSKCC)
Hide whitespace changes
Inline Side-by-side

Showing with 1 addition and 1 deletion

wrappers/python/simtk/openmm/app/forcefield.py wrappers/python/simtk/openmm/app/forcefield.py +1 -1

No files found.
--- a/wrappers/python/simtk/openmm/app/forcefield.py
+++ b/wrappers/python/simtk/openmm/app/forcefield.py
@@ -2939,7 +2939,7 @@ class AmoebaVdwGenerator:
            # dispersion correction
            if ('useDispersionCorrection' in args):
-                force.setUseDispersionCorrection(int(args['useDispersionCorrection']))
+                force.setUseDispersionCorrection(bool(args['useDispersionCorrection']))
            if (nonbondedMethod == PME):
                force.setNonbondedMethod(mm.AmoebaVdwForce.CutoffPeriodic)