Commit 03f87950 authored by John Chodera's avatar John Chodera
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Remove optimization to ForceField LennardJonesGenerator that was causing...

Remove optimization to ForceField LennardJonesGenerator that was causing issues with CHARMM conversion
parent 76d0252c
...@@ -2439,11 +2439,6 @@ class LennardJonesGenerator(object): ...@@ -2439,11 +2439,6 @@ class LennardJonesGenerator(object):
# Create the exceptions. # Create the exceptions.
bondIndices = _findBondsForExclusions(data, sys) bondIndices = _findBondsForExclusions(data, sys)
if self.lj14scale == 1:
# Just exclude the 1-2 and 1-3 interactions.
self.force.createExclusionsFromBonds(bondIndices, 2)
else:
forceCopy = deepcopy(self.force) forceCopy = deepcopy(self.force)
forceCopy.createExclusionsFromBonds(bondIndices, 2) forceCopy.createExclusionsFromBonds(bondIndices, 2)
self.force.createExclusionsFromBonds(bondIndices, 3) self.force.createExclusionsFromBonds(bondIndices, 3)
......
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