char ***atomname;
int *cgnr;
/* Bonded interaction setup */
- bool bAlldih;
+ gmx_bool bAlldih;
int nrexcl;
- bool HH14;
- bool bRemoveDih;
+ gmx_bool HH14;
+ gmx_bool bRemoveDih;
/* list of bonded interactions to add */
t_rbondeds rb[ebtsNR];
} t_restp;
int tp; /* Type of attachment (1..11) */
int nctl; /* How many control atoms there are */
char *a[4]; /* Control atoms i,j,k,l */
- bool bAlreadyPresent;
- bool bXSet;
+ gmx_bool bAlreadyPresent;
+ gmx_bool bXSet;
rvec newx; /* calculated new position */
atom_id newi; /* new atom index number (after additions) */
} t_hack;
/* all libraries and other data to protonate a structure or trajectory */
typedef struct {
- bool bInit; /* true after init; set false by init_t_protonate */
+ gmx_bool bInit; /* true after init; set false by init_t_protonate */
/* force field name: */
char FF[10];
/* libarary data: */
void clear_t_hack(t_hack *hack);
/* reset struct */
-bool merge_t_bondeds(t_rbondeds s[], t_rbondeds d[],
- bool bMin, bool bPlus);
+gmx_bool merge_t_bondeds(t_rbondeds s[], t_rbondeds d[],
+ gmx_bool bMin, gmx_bool bPlus);
/* add s[].b[] to d[].b[]
* If bMin==TRUE, don't copy bondeds with atoms starting with '-'
* If bPlus==TRUE, don't copy bondeds with atoms starting with '+'