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Unverified Commit dbb4827e authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Fixed error in metadynamics when using multiple processes (#3193)

parent 62002c50
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wrappers/python/openmm/app/metadynamics.py
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...@@ -264,7 +264,7 @@ class Metadynamics(object): ...@@ -264,7 +264,7 @@ class Metadynamics(object):
# If we loaded any files, recompute the total bias from all processes. # If we loaded any files, recompute the total bias from all processes.
if fileLoaded: if fileLoaded:
self._totalBias = self._selfBias self._totalBias = np.copy(self._selfBias)
for bias in self._loadedBiases.values(): for bias in self._loadedBiases.values():
self._totalBias += bias.bias self._totalBias += bias.bias
......
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