TORSION

Section can be repeated.

Section used to add/remove torsion in the connectivity. Useful for systems with a complex connectivity, difficult to find out automatically. [Edit on GitHub]

Keywords

SECTION_PARAMETERS
ATOMS

Keyword descriptions

SECTION_PARAMETERS: enum = ADD 

Usage: &TORSION (ADD|REMOVE)

Valid values:

ADD
REMOVE

controls the activation of the bond [Edit on GitHub]

ATOMS: integer[4]

Keyword can be repeated.

Usage: ATOMS {integer} {integer} {integer} {integer}

Specifies two atomic index united by a covalent bond [Edit on GitHub]