Section WALL

• Controls the activation of walls on COLVAR during a metadynamic run.

• Section path: CP2K_INPUT / MOTION / FREE_ENERGY / METADYN / METAVAR / WALL

• This section can be repeated and cannot be optional.

• Subsections

  • GAUSSIAN
  • QUADRATIC
  • QUARTIC
  • REFLECTIVE

• Keywords

  • POSITION
  • TYPE

• Keyword descriptions

  POSITION
  	POSITION <REAL>
  	Specify the value of the colvar for the wall position
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default unit: [internal_cp2k]

  TYPE
  	TYPE (REFLECTIVE|QUADRATIC|QUARTIC|GAUSSIAN|NONE)
  	Specify the type of wall
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: NONE
  	List of valid keywords: GAUSSIAN Applies a gaussian potential at the wall position. NONE No walls are applied. QUADRATIC Applies a quadratic potential at the wall position. QUARTIC Applies a quartic potential at the wall position. REFLECTIVE Reflective wall. Colvar velocity is inverted when the colvar is beyond the wall position.