# COLLECTIVE

Section can be repeated.

Used to constraint collective (general) degrees of freedom, writing langrangian multipliers to file. [Edit on GitHub]

Subsections

- RESTRAINT

## Keywords

- COLVAR

- EXCLUDE_MM

- EXCLUDE_QM

- INTERMOLECULAR

- MOLECULE

- MOLNAME

- TARGET

- TARGET_GROWTH

- TARGET_LIMIT

## Keyword descriptions

COLVAR: integer

  Usage: COLVAR {int}

  Specifies the index (in input file order) of the type of colvar to constrain. [Edit on GitHub]

EXCLUDE_MM: logical = F

  Lone keyword: `T`

  Usage: EXCLUDE_MM <LOGICAL>

  Does not apply the constraint to the MM region within a QM/MM calculation [Edit on GitHub]

EXCLUDE_QM: logical = F

  Lone keyword: `T`

  Usage: EXCLUDE_QM <LOGICAL>

  Does not apply the constraint to the QM region within a QM/MM calculation [Edit on GitHub]

INTERMOLECULAR: logical = F

  Lone keyword: `T`

  Usage: INTERMOLECULAR <LOGICAL>

  Specify if the constraint/restraint is intermolecular. [Edit on GitHub]

MOLECULE: integer

  Usage: MOLECULE {integer}

  Specifies the index of the molecule kind (in input file order) on which the constraint will be applied. MOLECULE and MOLNAME keyword exclude themself mutually. [Edit on GitHub]

MOLNAME: string

  Aliases: SEGNAME

  Usage: MOLNAME {character}

  Specifies the name of the molecule on which the constraint will be applied. [Edit on GitHub]

TARGET: real = [internal_cp2k]

  Usage: TARGET {real}

  Specifies the target value of the constrained collective variable (units depend on the colvar). [Edit on GitHub]

TARGET_GROWTH: real = 0.00000000E+000 [internal_cp2k]

  Usage: TARGET_GROWTH {real}

  Specifies the growth speed of the target value of the constrained collective variable. [Edit on GitHub]

TARGET_LIMIT: real = [internal_cp2k]

  Usage: TARGET_LIMIT {real}

  Specifies the limit of the growth of the target value of the constrained collective variable. By default no limit at the colvar growth is set. [Edit on GitHub]