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Commit 7dd882eb authored by peastman's avatar peastman
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Merge pull request #114 from rmcgibbo/modeller-context 

del the context after its use in addHydrogens
parents 8f9f824e f36b8080
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wrappers/python/simtk/openmm/app/modeller.py
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...@@ -769,6 +769,7 @@ class Modeller(object): ...@@ -769,6 +769,7 @@ class Modeller(object):
LocalEnergyMinimizer.minimize(context) LocalEnergyMinimizer.minimize(context)
self.topology = newTopology self.topology = newTopology
self.positions = context.getState(getPositions=True).getPositions() self.positions = context.getState(getPositions=True).getPositions()
del context
return actualVariants return actualVariants
def addExtraParticles(self, forcefield): def addExtraParticles(self, forcefield):
......
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