Section GYRATION_RADIUS

• Section to define the gyration radius as a collective variable.

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

• This section cannot be repeated and cannot be optional.

• Subsections

  • POINT

• Keywords

  • ATOMS
  • KINDS

• Keyword descriptions

  ATOMS
  	ATOMS {INTEGER} {INTEGER} ..
  	Specify indexes of atoms/points defyining the gyration radius variable.
  	This required keyword can be repeated and it expects a list of integers.
  	Alias names for this keyword: POINTS

  KINDS
  	KINDS {CHAR} {CHAR} ..
  	Specify alternatively kinds of atoms defining the gyration radius.
  	This optional keyword can be repeated and it expects a list of words.