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Commit b0b7548a authored by João Rodrigues's avatar João Rodrigues
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Ensure we only get keys of the dictionary

parent ec1c8ebe
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wrappers/python/simtk/openmm/app/modeller.py
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...@@ -336,7 +336,7 @@ class Modeller(object): ...@@ -336,7 +336,7 @@ class Modeller(object):
# while ensuring ions are not placed too close to each other. # while ensuring ions are not placed too close to each other.
modeller = Modeller(self.topology, self.positions) modeller = Modeller(self.topology, self.positions)
replaceableList = list(replaceableMols) replaceableList = list(replaceableMols.keys())
numAddedIons = 0 numAddedIons = 0
numTrials = 10 # Attempts to add ions N times before quitting numTrials = 10 # Attempts to add ions N times before quitting
toReplace = [] # list of molecules to be replaced toReplace = [] # list of molecules to be replaced
......
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