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

Type: string
Usage: O

Description: The QM kind

[Edit on GitHub]

MM_INDEX

Type: integer[ ]
Repeatable: yes
Usage: MM_INDEX 1 2

Description: 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]