QUADRATIC

Parameters controlling the quadratic wall [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.

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

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K

Type: real
Default: [hartree]
Usage: K

Description: Specify the value of the quadratic potential constant: K*(CV-POS)^2

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