* GRoups of Organic Molecules in ACtion for Science
*/
-/* The bools indicate whether a field was read from the trajectory.
- * Do not try to use a pointer when its bool is FALSE, as memory might
+/* The gmx_bools indicate whether a field was read from the trajectory.
+ * Do not try to use a pointer when its gmx_bool is FALSE, as memory might
* not be allocated.
*/
{
int flags; /* flags for read_first/next_frame */
int not_ok; /* integrity flags (see statutil.h */
- bool bDouble; /* Double precision? */
+ gmx_bool bDouble; /* Double precision? */
int natoms; /* number of atoms (atoms, x, v, f) */
real t0; /* time of the first frame, needed *
* for skipping frames with -dt */
real tppf; /* time of two frames ago */
/* tpf and tppf are needed to */
/* correct rounding errors for -e */
- bool bTitle;
+ gmx_bool bTitle;
const char *title; /* title of the frame */
- bool bStep;
+ gmx_bool bStep;
int step; /* MD step number */
- bool bTime;
+ gmx_bool bTime;
real time; /* time of the frame */
- bool bLambda;
+ gmx_bool bLambda;
real lambda; /* free energy perturbation lambda */
- bool bAtoms;
+ gmx_bool bAtoms;
t_atoms *atoms; /* atoms struct (natoms) */
- bool bPrec;
+ gmx_bool bPrec;
real prec; /* precision of x, fraction of 1 nm */
- bool bX;
+ gmx_bool bX;
rvec *x; /* coordinates (natoms) */
- bool bV;
+ gmx_bool bV;
rvec *v; /* velocities (natoms) */
- bool bF;
+ gmx_bool bF;
rvec *f; /* forces (natoms) */
- bool bBox;
+ gmx_bool bBox;
matrix box; /* the 3 box vectors */
- bool bPBC;
+ gmx_bool bPBC;
int ePBC; /* the type of pbc */
t_gmxvmdplugin vmdplugin;
} t_trxframe;