Section FIX_ATOM_RESTART

• Specify restart position only for FIXED_ATOMS restraints.

• Section path: CP2K_INPUT / MOTION / CONSTRAINT / FIX_ATOM_RESTART

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • DEFAULT_KEYWORD

• Keyword descriptions

  DEFAULT_KEYWORD
  	<REAL> <REAL> <REAL>
  	The restarting position of fixed atoms for restraints. The order is an internal order. So if you decide to modify these values by hand first think what you're doing!
  	This optional keyword can be repeated and it expects a list of reals.