/usr/include/gromacs/toputil.h is in gromacs-dev 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
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* This file is part of the GROMACS molecular simulation package.
*
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#ifndef _toputil_h
#define _toputil_h
#include "visibility.h"
#include "grompp.h"
#include "gpp_atomtype.h"
#ifdef __cplusplus
extern "C" {
#endif
/* UTILITIES */
int name2index(char *str, char ***typenames, int ntypes);
void pr_alloc (int extra, t_params *pr);
GMX_LIBGMXPREPROCESS_EXPORT
void set_p_string(t_param *p, const char *s);
void cp_param(t_param *dest, t_param *src);
GMX_LIBGMXPREPROCESS_EXPORT
void add_param_to_list(t_params *list, t_param *b);
/* INITIATE */
GMX_LIBGMXPREPROCESS_EXPORT
void init_plist(t_params plist[]);
void init_molinfo(t_molinfo *mol);
GMX_LIBGMX_EXPORT
void init_top (t_topology *top);
void done_top(t_topology *top);
/* FREE */
GMX_LIBGMXPREPROCESS_EXPORT
void done_mi(t_molinfo *mi);
/* PRINTING */
void print_blocka(FILE *out, const char *szName, const char *szIndex,
const char *szA, t_blocka *block);
void print_atoms(FILE *out, gpp_atomtype_t atype, t_atoms *at, int *cgnr,
gmx_bool bRTPresname);
void print_bondeds(FILE *out, int natoms, directive d,
int ftype, int fsubtype, t_params plist[]);
void print_excl(FILE *out, int natoms, t_excls excls[]);
#ifdef __cplusplus
}
#endif
#endif /* _toputil_h */
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