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Commit 55ee0b9f authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1767 from peastman/drudeexclusion 

Fixed error with exclusions for Drude particles
parents 9f6bd494 b0c82b88
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wrappers/python/simtk/openmm/app/forcefield.py
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...@@ -1271,6 +1271,9 @@ def _findBondsForExclusions(data, sys): ...@@ -1271,6 +1271,9 @@ def _findBondsForExclusions(data, sys):
bondIndices.append((child1, child2)) bondIndices.append((child1, child2))
for child2 in data.excludeAtomWith[atom2]: for child2 in data.excludeAtomWith[atom2]:
bondIndices.append((atom1, child2)) bondIndices.append((atom1, child2))
for atom in data.atoms:
for child in data.excludeAtomWith[atom.index]:
bondIndices.append((child, atom.index))
return bondIndices return bondIndices
def _countResidueAtoms(elements): def _countResidueAtoms(elements):
......
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