Module nonbonded 

Non-bonded (intermolecular) interaction potentials.

Non-bonded interactions occur between atoms not directly connected by the bond topology, typically including van der Waals forces, electrostatics, and specific hydrogen bonding terms.

Components

Van der Waals (vdW)

Models short-range repulsion (Pauli exclusion) and long-range attraction (dispersion).

• LennardJones: Classic 12-6 potential.
• Buckingham: Exponential-6 potential with softer repulsion.
• SplinedBuckingham: $C^2$ continuous variant of Buckingham with polynomial regularization at short range.

Electrostatics

Models Coulombic interactions between partial charges.

• Coulomb: Standard $1/r$ electrostatic potential.

Hydrogen Bonding

Explicit terms for hydrogen bond directionality and strength (DREIDING specific).

• HydrogenBond: 12-10 potential with angular dependence.

Structs

Buckingham

Buckingham (Exponential-6) potential for Van der Waals interactions.

Coulomb

Standard Coulomb potential implementation for electrostatics.

HydrogenBond

DREIDING Hydrogen Bond potential (12-10).

LennardJones

Lennard-Jones 12-6 potential for Van der Waals interactions.

SplinedBuckingham

Splined Buckingham (Exp-6) potential with $C^2$ continuous short-range regularization.