Commit 400b2a24 authored by Jason Swails's avatar Jason Swails
Browse files

Fix issue where the last CMAP defined in a parameter file is not added to the

parameter set.
parent af55cd27
......@@ -13,7 +13,7 @@ Copyright (c) 2014 the Authors
Author: Jason M. Swails
Contributors:
Date: July 17, 2014
Date: Sep. 17, 2014
Permission is hereby granted, free of charge, to any person obtaining a
copy of this software and associated documentation files (the "Software"),
......@@ -473,6 +473,11 @@ class CharmmParameterSet(object):
self.nbfix_types[(min(at1, at2), max(at1, at2))] = (emin, rmin)
# Now we're done. Load the nonbonded types into the relevant AtomType
# instances. In order for this to work, all keys in nonbonded_types
if current_cmap is not None:
ty = CmapType(current_cmap_res, current_cmap_data)
self.cmap_types[current_cmap] = ty
# Now we're done. Load the nonbonded types into the relevant AtomType
# instances. In order for this to work, all keys in nonbonded_types
# must be in the self.atom_types_str dict. Raise a RuntimeError if this
# is not satisfied
try:
......
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