Section TORSION

• Section to define the torsion as a collective variables.

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / TORSION

• This section cannot be repeated and cannot be optional.

• Subsections

  • POINT

• Keywords

  • ATOMS

• Keyword descriptions

  ATOMS
  	ATOMS {INTEGER} {INTEGER} {INTEGER} {INTEGER}
  	Specifies the indexes of atoms/points defining the torsion.
  	This required keyword cannot be repeated and it expects precisely 4 integers.
  	Alias names for this keyword: POINTS