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root/freemol/branches/sync4pymol12/src/mengine/src/energies.h
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# Line 1 | Line 1
1   EXTERN struct  t_energies {
2          double total, estr, ebend, estrbnd, e14, evdw, etor, eu, eopb,
3                 eangang, estrtor, ehbond, efix, eimprop, eimptors, eurey, esolv, egeom; } energies;
4
5 EXTERN struct t_virial {
6        double virx, viry, virz;
7         } virial;

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