gmx_shellfc_t shfc);
/* Optimize shell positions */
-int relax_shell_flexcon(FILE *log,t_commrec *cr,bool bVerbose,
+int relax_shell_flexcon(FILE *log,t_commrec *cr,gmx_bool bVerbose,
gmx_large_int_t mdstep,t_inputrec *inputrec,
- bool bDoNS,int force_flags,
- bool bStopCM,
+ gmx_bool bDoNS,int force_flags,
+ gmx_bool bStopCM,
gmx_localtop_t *top,
gmx_mtop_t *mtop,
gmx_constr_t constr,
gmx_groups_t *groups,
gmx_shellfc_t shfc,
t_forcerec *fr,
- bool bBornRadii,
+ gmx_bool bBornRadii,
double t,rvec mu_tot,
- int natoms,bool *bConverged,
+ int natoms,gmx_bool *bConverged,
gmx_vsite_t *vsite,
FILE *fp_field);