QUARTIC

Parameters controlling the quartic 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

[Edit on GitHub]

K

Type: real
Default: [hartree]
Usage: K

Description: Specify the value of the quartic potential constant: K*(CV-(POS+/-(1/K^(1/4))))^4

[Edit on GitHub]