/usr/include/gromacs/resall.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 _resall_h
#define _resall_h
#include "visibility.h"
#include "typedefs.h"
#include "hackblock.h"
#include "gpp_atomtype.h"
#include "grompp.h"
#ifdef __cplusplus
extern "C" {
#endif
char *search_rtp(const char *key, int nrtp, t_restp rtp[]);
/* Search for an entry in the rtp database, returns the rtp residue name.
* A mismatch of one character is allowed, if there is only one nearly
* matching entry in the database, a warning will be generated.
*/
t_restp *get_restp(const char *rtpname, int nrtp, t_restp rtp[]);
/* Return the entry in the rtp database with rtp name rtpname.
* Generates a fatal error when rtpname is not found.
*/
GMX_LIBGMXPREPROCESS_EXPORT
gpp_atomtype_t read_atype(const char *ffdir, t_symtab *tab);
/* read atom type database(s) */
GMX_LIBGMXPREPROCESS_EXPORT
void read_resall(char *resdb, int *nrtp, t_restp **rtp,
gpp_atomtype_t atype, t_symtab *tab,
gmx_bool bAllowOverrideRTP);
/* read rtp database, append to the existing database */
GMX_LIBGMXPREPROCESS_EXPORT
void print_resall(FILE *out, int nrtp, t_restp rtp[],
gpp_atomtype_t atype);
/* write rtp database */
#ifdef __cplusplus
}
#endif
#endif /* _resall_h */
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