Added dispersion correction flag handling to NonbondedGenerator.

470675ae · John Chodera (MSKCC) · 84afd74a · 470675ae
Commit 470675ae authored Jun 24, 2014 by John Chodera (MSKCC)
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wrappers/python/simtk/openmm/app/forcefield.py wrappers/python/simtk/openmm/app/forcefield.py +2 -0

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--- a/wrappers/python/simtk/openmm/app/forcefield.py
+++ b/wrappers/python/simtk/openmm/app/forcefield.py
@@ -1107,6 +1107,8 @@ class NonbondedGenerator:
        force.setCutoffDistance(nonbondedCutoff)
        if 'ewaldErrorTolerance' in args:
            force.setEwaldErrorTolerance(args['ewaldErrorTolerance'])
+        if 'useDispersionCorrection' in args:
+            force.setUseDispersionCorrection(bool(args['useDispersionCorrection']))
        sys.addForce(force)

    def postprocessSystem(self, sys, data, args):