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Commit 18253db9 authored by Rafal P. Wiewiora's avatar Rafal P. Wiewiora
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fix

parent 6412e52f
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wrappers/python/simtk/openmm/app/forcefield.py
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...@@ -1941,7 +1941,7 @@ class PeriodicTorsionGenerator(object): ...@@ -1941,7 +1941,7 @@ class PeriodicTorsionGenerator(object):
(a2, a4) = (a4, a2) (a2, a4) = (a4, a2)
r2 = data.atoms[a2].residue.index r2 = data.atoms[a2].residue.index
r4 = data.atoms[a4].residue.index r4 = data.atoms[a4].residue.index
ta3 = data.atomTemplateIndexes[data.atoms[a3]] ta2 = data.atomTemplateIndexes[data.atoms[a3]]
ta4 = data.atomTemplateIndexes[data.atoms[a4]] ta4 = data.atomTemplateIndexes[data.atoms[a4]]
if t3[0] == t4[0] and (r3 > r4 or (r3 == r4 and ta3 > ta4)): if t3[0] == t4[0] and (r3 > r4 or (r3 == r4 and ta3 > ta4)):
(a3, a4) = (a4, a3) (a3, a4) = (a4, a3)
......
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