Made g_protonate (partially) work.
[gromacs/rigid-bodies.git] / include / dihre.h
blobc3fb97d6605ffa449bb9c6c90b8c468b7870ff68
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36 #ifndef _dihre_h
37 #define _dihre_h
39 #include "sysstuff.h"
40 #include "typedefs.h"
42 #ifdef __cplusplus
43 extern "C" {
44 #endif
46 void init_dihres(FILE *fplog,gmx_mtop_t *mtop,t_inputrec *ir,t_fcdata *fcd);
49 t_ifunc ta_dihres;
50 /* Calculate the distance restraint forces, return the potential */
52 #ifdef __cplusplus
54 #endif
56 #endif /* _disre_h */