The CP2K project : input section TORSION

Section TORSION

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%COLVAR%COMBINE_COLVAR%COLVAR%TORSION.

Section to define the torsion as a collective variables. This section can not be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

ATOMS
ATOMS {integer} {integer} {integer} {integer}
Specifies the indexes of atoms/points defining the torsion.
This required keyword expects precisely 4 integers
variants: POINTS


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