/* rotates molecule to align principal axes with coordinate axes */
real calc_xcm(rvec x[],int gnx,atom_id *index,t_atom *atom,rvec xcm,
- bool bQ);
+ gmx_bool bQ);
/* Calculate the center of mass of the atoms in index. if bQ then the atoms
* will be charge weighted rather than mass weighted.
* Returns the total mass/charge.
*/
real sub_xcm(rvec x[],int gnx,atom_id *index,t_atom atom[],rvec xcm,
- bool bQ);
+ gmx_bool bQ);
/* Calc. the center of mass and subtract it from all coordinates.
* Returns the original center of mass in xcm
* Returns the total mass