CV:CNSW

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Navigation: Documentation / Collective Variables / CV:CNSW


Distance

Angle

Coordination

Shape

Nucleic Acids

Puckering

Special

Energy

Algebra

Definition

The sum of coordination numbers of atoms from the group A with respect to atoms of the group B using a switch function.

PBC note: The minimum-image convention is apllied to all atom pair distances if the fenable_pbc option is activated.


Specification

Section name: CNSW

Key Type Default Description




name string unique CV name
group_a mask atoms specifying the group A
group_b mask atoms specifying the group B
cutoff real cut-off distance dcut

Keys in bold are mandatory.