# RESTRAINT

Section can be repeated.

specifies a restraint on the fitted charges. This can be used to restrain values to zero. s*(sum over atom_list q_i - t)**2 [Edit on GitHub]

## Keywords

- ATOM_COEF

- ATOM_LIST

- STRENGTH

- TARGET

## Keyword descriptions

ATOM_COEF: real[ ]

  Usage: ATOM_COEF 1.0 -1.0

  Defines the coefficient of the atom in this linear restraint. If given, the restraint will be: s*(sum over atom_list c_i * q_i - t)**2 [Edit on GitHub]

ATOM_LIST: integer[ ]

  Keyword can be repeated.

  Usage: ATOM_LIST 3 4

  Defines the list of atoms involved in this restraint [Edit on GitHub]

STRENGTH: real = 1.00000000E-003

  Usage: STRENGTH 0.001

  Mentions: ⭐RESP Charges

  the target value for the constraint [Edit on GitHub]

TARGET: real = 0.00000000E+000

  Usage: TARGET 0.0

  the target value for the restraint [Edit on GitHub]