Improper Torsion Functions

Functional forms for improper torsion interactions

Improper torsion angles deal with out-of-plane bending modes within molecules. In Dissolve, any valid torsion potential can be used for an improper. Note that in Dissolve the central atom of the quartet is denoted as i.

Improper torsion interaction between atoms i, j, k and l, where the improper angle ϕijkl can be viewed as the angle made between the two planes defined by i-j-k and j-k-l.

Last modified February 24, 2023: Docs 1.0 (#1221) (6f6c04b7e)