Description

Parameters of the umbrella potentials.

Public Attributes
Using umbrella pull code since gromacs 4.x
int	npullcrds_tot
	nr of pull coordinates in tpr file

int	npullcrds
	nr of umbrella pull coordinates for reading

int	pull_geometry
	such as distance, direction

ivec	pull_dim
	pull dimension with geometry distance

int	pull_ndim
	nr of pull_dim != 0

gmx_bool	bPrintRef
	Coordinates of reference groups written to pullx.xvg ?

gmx_bool	bPrintComp
	Components of pull distance written to pullx.xvg ?

real *	k
	force constants in tpr file

real *	init_dist
	reference displacements

real *	umbInitDist
	reference displacement in umbrella direction

Using PDO files common until gromacs 3.x
int	nSkip

char	Reference [256]

int	nPull

int	nDim

ivec	Dims

char	PullName [4][256]

double	UmbPos [4][3]

double	UmbCons [4][3]

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

Public Attributes