The CP2K project : input section RESTRAINT

Section RESTRAINT

Index of all sections. This section is located at __ROOT__%MOTION%CONSTRAINT%HBONDS%RESTRAINT.

Activate and specify information on restraint instead of constraint. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

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 optional keyword expects a real. Default unit: [internal_cp2k], default value: 0.0000000000000000E+00 internal_cp2k


Back to the CP2K homepage or the latest version of this manual