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: string

Usage: O

The MM kind [Edit on GitHub]

CORR_RADIUS: real = [angstrom]

Usage: RADIUS real

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

RADIUS: real = 8.00000000E-001 [angstrom]

Usage: RADIUS real

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