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Unverified Commit 30d4a4bb authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1974 from agrossfield/master 

allow the user to skip parameter condensing CHARMM parameters
parents 7164109e 80528f3b
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wrappers/python/simtk/openmm/app/charmmpsffile.py
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...@@ -740,7 +740,7 @@ class CharmmPsfFile(object): ...@@ -740,7 +740,7 @@ class CharmmPsfFile(object):
raise a ValueError raise a ValueError
""" """
# Load the parameter set # Load the parameter set
self.loadParameters(params.condense()) self.loadParameters(params)
hasbox = self.topology.getUnitCellDimensions() is not None hasbox = self.topology.getUnitCellDimensions() is not None
# Check GB input parameters # Check GB input parameters
if implicitSolvent is not None and gbsaModel not in ('ACE', None): if implicitSolvent is not None and gbsaModel not in ('ACE', None):
......
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