Section RESTRAINT

• Activate and specify information on restraint instead of constraint

• Section path: CP2K_INPUT / MOTION / CONSTRAINT / HBONDS / RESTRAINT

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • K

• Keyword descriptions

  K
  	K {Real}
  	Specifies the force constant for the harmonic restraint. The functional form for the restraint is: K*(X-TARGET)^2.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000
  	Default unit: [internal_cp2k]