CHARGE

Section can be repeated.

This section specifies the charge of the MM atoms [Edit on GitHub]

Keywords

Keyword descriptions

ATOM

Type: string
Usage: ATOM {KIND1}

Description: Defines the atomic kind of the charge.

[Edit on GitHub]

CHARGE

Type: real
Usage: CHARGE {real}

Description: Defines the charge of the MM atom in electron charge unit.

[Edit on GitHub]