int nterpairs,
t_hackblock **ntdb, t_hackblock **ctdb,
const int *rn, const int *rc,
- gmx_bool bAllowMissing);
+ bool bAllowMissing);
/* Get the database entries for the nres residues in resinfo
* and store them in restp and hb.
*/
void match_atomnames_with_rtp(t_restp restp[], t_hackblock hb[],
t_atoms *pdba, rvec *x,
- gmx_bool bVerbose);
+ bool bVerbose);
/* Check if atom in pdba need to be deleted of renamed due to tdb or hdb.
* If renaming involves atoms added wrt to the rtp database,
* add these atoms to restp.
*/
-void print_top_comment(FILE *out, const char *filename, const char *ffdir, gmx_bool bITP);
+void print_top_comment(FILE *out, const char *filename, const char *ffdir, bool bITP);
-void print_top_header(FILE *out, const char *filename, gmx_bool bITP,
+void print_top_header(FILE *out, const char *filename, bool bITP,
const char *ffdir, real mHmult);
void print_top_mols(FILE *out,
int nmol, t_mols *mols);
void write_top(FILE *out, char *pr, const char *molname,
- t_atoms *at, gmx_bool bRTPresname,
+ t_atoms *at, bool bRTPresname,
int bts[], t_params plist[], t_excls excls[],
gpp_atomtype_t atype, int *cgnr, int nrexcl);
/* NOTE: nrexcl is not the size of *excl! */
gpp_atomtype_t atype, struct t_symtab *tab,
int nrtp, t_restp rtp[],
t_restp *restp, t_hackblock *hb,
- gmx_bool bAllowMissing,
- gmx_bool bVsites, gmx_bool bVsiteAromatics,
+ bool bAllowMissing,
+ bool bVsites, bool bVsiteAromatics,
const char *ffdir,
real mHmult,
int nssbonds, t_ssbond ssbonds[],
real long_bond_dist, real short_bond_dist,
- gmx_bool bDeuterate, gmx_bool bChargeGroups, gmx_bool bCmap,
- gmx_bool bRenumRes, gmx_bool bRTPresname);
+ bool bDeuterate, bool bChargeGroups, bool bCmap,
+ bool bRenumRes, bool bRTPresname);
/* Create a topology ! */
-void print_sums(t_atoms *atoms, gmx_bool bSystem);
+void print_sums(t_atoms *atoms, bool bSystem);
#endif