extern "C" {
#endif
+struct gmx_residuetype_t;
+
/***********************************************
*
* A U T O C O R R E L A T I O N
* Read a trajectory and calculate angles and dihedrals.
*
* trj_fn file name of trajectory
- * tpb_fn file name of tpb file
* bAngles do we have to read angles or dihedrals
* bSaveAll do we have to store all in the dih array
* bRb do we have Ryckaert-Bellemans dihedrals (trans = 0)
t_dlist *mk_dlist(FILE *log,
t_atoms *atoms, int *nlist,
gmx_bool bPhi, gmx_bool bPsi, gmx_bool bChi, gmx_bool bHChi,
- int maxchi, int r0, gmx_residuetype_t rt);
+ int maxchi, int r0, struct gmx_residuetype_t *rt);
void pr_dlist(FILE *fp, int nl, t_dlist dl[], real dt, int printtype,
gmx_bool bPhi, gmx_bool bPsi, gmx_bool bChi, gmx_bool bOmega, int maxchi);