#include <gromacs/fileio/tpxio.h>

Description

First part of the TPR file structure containing information about the general aspect of the system.

When adding to or making breaking changes to reading this struct, update TpxGeneration.

Public Attributes
bool	bIr = false
	Non zero if input_rec is present.

bool	bBox = false
	Non zero if a box is present.

bool	bTop = false
	Non zero if a topology is present.

bool	bX = false
	Non zero if coordinates are present.

bool	bV = false
	Non zero if velocities are present.

bool	bF = false
	Non zero if forces are present (no longer supported, but retained so old .tpr can be read)

int	natoms = 0
	The total number of atoms.

int	ngtc = 0
	The number of temperature coupling groups.

real	lambda = 0
	Current value of lambda.

int	fep_state = 0
	Current value of the alchemical state - not yet printed out.

int64_t	sizeOfTprBody = 0
	Size of the TPR body in chars (equal to number of bytes) during I/O.

int	fileVersion = 0
	File version.

int	fileGeneration = 0
	File generation.

bool	isDouble = false
	If the tpr file was written in double precision.

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

Public Attributes