Gromacs  2020.4
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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_pullcoordpcrd
 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 ?
 
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: