QM_KIND

Section can be repeated.

Information about the QM kind in the QM/MM scheme [Edit on GitHub]

Keywords

• SECTION_PARAMETERS

• MM_INDEX

Keyword descriptions

SECTION_PARAMETERS: string

Usage: O

The QM kind [Edit on GitHub]

MM_INDEX: integer

Keyword can be repeated.

Usage: MM_INDEX 1 2

The indexes of the MM atoms that have this kind. This keyword can be repeated several times (useful if you have to specify many indexes). [Edit on GitHub]