__init__ (
self,
r,
atomMap,
)
Exceptions
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LimitationError( "Atom type \"%s\" " "is not supported by MMTK" % a.element.name )
LimitationError("Unable to find " "partial charge for %s" % a.oslIdent() )
LimitationError("Unable to find " "GAFF type for %s" % a.oslIdent() )
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