QUADRATIC

Parameters controlling the quadratic wall [Edit on GitHub]

Keywords

• DIRECTION

• K

Keyword descriptions

DIRECTION: enum = WALL_PLUS

Usage: _ TYPE (WALL_PLUS|WALL_MINUS)_

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

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

K: real = [hartree]

Usage: K

Specify the value of the quadratic potential constant: K*(CV-POS)^2 [Edit on GitHub]