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trx_hdr Struct Reference

#include <Gromacs.h>

List of all members.

Public Attributes
int	version
char	title [MAX_TRX_TITLE+1]
int	ir_size
int	e_size
int	box_size
int	vir_size
int	pres_size
int	top_size
int	sym_size
int	x_size
int	v_size
int	f_size
int	natoms
int	step
int	nre
float	t
float	lambda

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Member Data Documentation

int trx_hdr::box_size

Definition at line 119 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::e_size

Definition at line 118 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::f_size

Definition at line 126 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::ir_size

Definition at line 117 of file Gromacs.h. Referenced by trx_header.

float trx_hdr::lambda

Definition at line 131 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::natoms

Definition at line 127 of file Gromacs.h. Referenced by mdio_header, trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::nre

Definition at line 129 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::pres_size

Definition at line 121 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::step

Definition at line 128 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::sym_size

Definition at line 123 of file Gromacs.h. Referenced by trx_header.

float trx_hdr::t

Definition at line 130 of file Gromacs.h. Referenced by mdio_header, and trx_header.

char trx_hdr::title[MAX_TRX_TITLE + 1]

Definition at line 116 of file Gromacs.h. Referenced by mdio_header, and trx_header.

int trx_hdr::top_size

Definition at line 122 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::v_size

Definition at line 125 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::version

Definition at line 115 of file Gromacs.h. Referenced by trx_header.

int trx_hdr::vir_size

Definition at line 120 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

int trx_hdr::x_size

Definition at line 124 of file Gromacs.h. Referenced by trx_header, trx_timeskip, and trx_timestep.

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The documentation for this struct was generated from the following file:

• Gromacs.h

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