xdrfile_trr.cpp File Reference

#include <stdlib.h>
#include <string.h>
#include "xdrfile.h"
#include "xdrfile_trr.h"

Classes
struct	PLMD::xdrfile::t_trnheader

Namespaces
	PLMD
	PLMD::xdrfile

Macros
#define	BUFSIZE   128
#define	GROMACS_MAGIC   1993

Functions
static int	PLMD::xdrfile::do_htrn (XDRFILE *xd, mybool bRead, t_trnheader *sh, matrix box, rvec *x, rvec *v, rvec *f)
static int	PLMD::xdrfile::do_trn (XDRFILE *xd, mybool bRead, int *step, float *t, float *lambda, matrix box, int *natoms, rvec *x, rvec *v, rvec *f)
static int	PLMD::xdrfile::do_trnheader (XDRFILE *xd, mybool bRead, t_trnheader *sh)
static int	PLMD::xdrfile::nFloatSize (t_trnheader *sh, int *nflsz)
int	PLMD::xdrfile::read_trr (XDRFILE *xd, int natoms, int *step, float *t, float *lambda, matrix box, rvec *x, rvec *v, rvec *f)
int	PLMD::xdrfile::read_trr_natoms (char *fn, int *natoms)
int	PLMD::xdrfile::write_trr (XDRFILE *xd, int natoms, int step, float t, float lambda, matrix box, rvec *x, rvec *v, rvec *f)

Macro Definition Documentation

BUFSIZE

#define BUFSIZE   128

GROMACS_MAGIC

#define GROMACS_MAGIC   1993