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root/freemol/branches/sync4pymol12/src/mengine/src/energies.h
Revision: 58
Committed: Mon Dec 1 06:44:59 2008 UTC (10 years, 8 months ago) by wdelano
Original Path: trunk/src/mengine/src/energies.h
File size: 283 byte(s)
Log Message:
code merge 20081130
Line File contents
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;