QUADRATIC

Parameters controlling the quadratic wall \(K (\mathrm{CV}-\mathrm{POS})^2\) [Edit on GitHub]

Keywords

• DIRECTION

• K

Keyword descriptions

DIRECTION

Type: enum
Default: WALL_PLUS
Usage: DIRECTION (WALL_PLUS|WALL_MINUS)

Description: Specify the direction of the wall. [Edit on GitHub]

Valid values:

• WALL_PLUS Wall extends from the position towards larger values of COLVAR

• WALL_MINUS Wall extends from the position towards smaller values of COLVAR

K

Type: real
Default: [hartree]
Usage: K <REAL>

Description: Specify the value of the quadratic potential constant \(K\). [Edit on GitHub]