MULLIKEN_RESTRAINT

Use mulliken charges in a restraint (check code for details) [Edit on GitHub]

Keywords

ATOMS

Type: integer[ ]
Usage: ATOMS {integer} {integer} .. {integer}

Description: Specifies the list of atoms that is summed in the restraint

STRENGTH

Type: real
Default: 1.00000000E-001
Usage: STRENGTH {real}

Description: force constant of the restraint

TARGET

Type: real
Default: 1.00000000E+000
Usage: TARGET {real}

Description: target value of the restraint