MM_KIND

Section can be repeated.

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

Keywords

• SECTION_PARAMETERS

• CORR_RADIUS

• RADIUS

Keyword descriptions

SECTION_PARAMETERS

Type: string
Usage: O

Description: The MM kind [Edit on GitHub]

CORR_RADIUS

Type: real
Default: [angstrom]
Usage: CORR_RADIUS real

Description: Specifies the correction radius of the atomic kinds The correction radius is connected to the use of the compatibility keyword. [Edit on GitHub]

RADIUS

Type: real
Default: 8.00000000E-001 [angstrom]
Usage: RADIUS real

Description: Specifies the radius of the atomic kinds [Edit on GitHub]