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root/group/branches/new_design/OOPSE-4/src/types/CharmmTorsionType.hpp
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Comparing branches/new_design/OOPSE-4/src/types/CharmmTorsionType.hpp (file contents):
Revision 1755 by tim, Wed Nov 17 18:58:49 2004 UTC vs.
Revision 1756 by tim, Thu Nov 18 23:26:27 2004 UTC

# Line 37 | Line 37 | namespace oopse {
37   namespace oopse {
38  
39      struct CharmmTorsionParameter {
40 +        double kchi;
41          int n;
41 –        double k;
42          double delta;
43      };
44    
# Line 63 | Line 63 | class CharmmTorsionType : public TorsionType{
63              }            
64          }
65  
66 <        void setCharmmTorsionParameter(int n, double k, double delta) {
66 >        void setCharmmTorsionParameter(double kchi, int n, double delta) {
67              CharmmTorsionParameter param;
68 +            param.kchi = kchi;
69              param.n = n;
69 –            param.k = k;
70              param.delta = delta;
71              setCharmmTorsionParameter(param);
72          }

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