Section FRAME

• Specify coordinates of the frame (number of frames can be either 1 or 2)

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / RMSD / FRAME

• This section can be repeated.

• Subsections

  • COORD

• Keywords

  • COORD_FILE_NAME

• Keyword descriptions

  COORD_FILE_NAME
  	COORD_FILE_NAME {String}
  	Name of the xyz file with coordinates (alternative to &COORD section)
  	This keyword cannot be repeated and it expects precisely one string.