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root/freemol/branches/sync4pymol12/src/mengine/src/energies.h

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

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