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*/
#ifndef _hxprops_h
#define _hxprops_h
#include <stdio.h>
-#include "typedefs.h"
+
+#include "gromacs/legacyheaders/typedefs.h"
#define PHI_AHX (-55.0)
#define PSI_AHX (-45.0)
efhAHX, efhNR
};
-extern real ahx_len(int gnx, atom_id index[], rvec x[], matrix box);
+extern real ahx_len(int gnx, atom_id index[], rvec x[]);
/* Assume we have a list of Calpha atoms only! */
extern real ellipticity(int nres, t_bb bb[]);
extern real radius(FILE *fp, int nca, atom_id ca_index[], rvec x[]);
/* Assume we have calphas */
-extern real twist(FILE *fp, int nca, atom_id caindex[], rvec x[]);
+extern real twist(int nca, atom_id caindex[], rvec x[]);
/* Calculate the twist of the helix */
extern real pprms(FILE *fp, int nbb, t_bb bb[]);
* and the distance per residue
*/
-extern real ca_phi(int gnx, atom_id index[], rvec x[], matrix box);
+extern real ca_phi(int gnx, atom_id index[], rvec x[]);
/* Assume we have a list of Calpha atoms only! */
extern real dip(int nbb, atom_id bbind[], rvec x[], t_atom atom[]);
char ***atomname, t_atom atom[],
t_resinfo *resinfo);
-extern void do_start_end(int nres, t_bb bb[], rvec x[], int *nbb,
+extern void do_start_end(int nres, t_bb bb[], int *nbb,
atom_id bbindex[], int *nca, atom_id caindex[],
gmx_bool bRange, int rStart, int rEnd);
-extern void calc_hxprops(int nres, t_bb bb[], rvec x[], matrix box);
+extern void calc_hxprops(int nres, t_bb bb[], rvec x[]);
extern void pr_bb(FILE *fp, int nres, t_bb bb[]);