BULK_REGION

Atoms belonging to the bulk contact adjacent to the screening region. [Edit on GitHub]

Subsections

• CELL

Keywords

• LIST

• MOLNAME

Keyword descriptions

LIST: integer[ ]

Keyword can be repeated.

Usage: LIST {integer} {integer} .. {integer}

Specifies a list of atoms. [Edit on GitHub]

MOLNAME: string[ ]

Keyword can be repeated.

Usage: MOLNAME WAT MEOH

Specifies a list of named molecular fragments. [Edit on GitHub]