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Commit 04436ceb authored by peastman's avatar peastman
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Fixed Bondi radius for Cl

parent bf7aee53
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Showing with 3 additions and 3 deletions
wrappers/python/simtk/openmm/app/internal/customgbforces.py
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......@@ -250,7 +250,7 @@ def _bondi_radii(topology):
E.silicon: 2.1,
E.phosphorus: 1.85,
E.sulfur: 1.8,
E.chlorine: 1.5,
E.chlorine: 1.7,
}
if _have_numpy:
......@@ -272,7 +272,7 @@ def _mbondi_radii(topology, all_bonds = None):
E.silicon: 2.1,
E.phosphorus: 1.85,
E.sulfur: 1.8,
E.chlorine: 1.5,
E.chlorine: 1.7,
}
if _have_numpy:
radii = numpy.empty(topology.getNumAtoms(), numpy.double)
......@@ -310,7 +310,7 @@ def _mbondi2_radii(topology, all_bonds = None):
E.silicon: 2.1,
E.phosphorus: 1.85,
E.sulfur: 1.8,
E.chlorine: 1.5,
E.chlorine: 1.7,
}
if _have_numpy:
radii = numpy.empty(topology.getNumAtoms(), numpy.double)
......
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