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Commit ce3a5dc0 authored by Rafal P. Wiewiora's avatar Rafal P. Wiewiora
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fix for when ordering attribute not in PeriodicTorsionForce element

parent aaf535b8
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wrappers/python/simtk/openmm/app/forcefield.py
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...@@ -1840,7 +1840,10 @@ class PeriodicTorsionGenerator(object): ...@@ -1840,7 +1840,10 @@ class PeriodicTorsionGenerator(object):
for torsion in element.findall('Proper'): for torsion in element.findall('Proper'):
generator.registerProperTorsion(torsion.attrib) generator.registerProperTorsion(torsion.attrib)
for torsion in element.findall('Improper'): for torsion in element.findall('Improper'):
generator.registerImproperTorsion(torsion.attrib, element.attrib['ordering']) if 'ordering' in element.attrib:
generator.registerImproperTorsion(torsion.attrib, element.attrib['ordering'])
else:
generator.registerImproperTorsion(torsion.attrib)
def createForce(self, sys, data, nonbondedMethod, nonbondedCutoff, args): def createForce(self, sys, data, nonbondedMethod, nonbondedCutoff, args):
existing = [sys.getForce(i) for i in range(sys.getNumForces())] existing = [sys.getForce(i) for i in range(sys.getNumForces())]
......
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