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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; } energies;
4 <
5 < EXTERN struct t_virial {
6 <        double virx, viry, virz;
7 <         } virial;
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;

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