t_UmbrellaHeader Struct Reference

Collaboration diagram for t_UmbrellaHeader:

Description

Parameters of the umbrella potentials.

Public Attributes
Using umbrella pull code since gromacs 4.x
int	npullcrds
	nr of umbrella pull coordinates for reading
t_pullcoord *	pcrd
	the pull coordinates
gmx_bool	bPrintCOM
	COMs of pull groups writtn in pullx.xvg.
gmx_bool	bPrintRefValue
	Reference value for the coordinate written in pullx.xvg.
gmx_bool	bPrintComp
	Components of pull distance written to pullx.xvg ?

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

• src/gromacs/gmxana/gmx_wham.cpp