Package ffx.potential.terms

@ParametersAreNonnullByDefault package ffx.potential.terms

The terms package contains analytical potential energy terms and their gradients for bonded interactions (bond, angle, stretch-bend, torsions, impropers, Urey-Bradley) and restraint terms used by Force Field X.

Since:

1.0

Author:

Michael J. Schnieders

Related Packages

Package	Description
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.

Classes

Class	Description
AnglePotentialEnergy	Angle potential energy term using Angle instances.
AngleTorsionPotentialEnergy	Angle-Torsion potential energy term using AngleTorsion instances.
BondPotentialEnergy	Bond potential energy term using Bond instances.
EnergyTerm	Base class for potential energy terms used by ForceFieldEnergy.
EnergyTermRegion
ImproperTorsionPotentialEnergy	Improper Torsion potential energy term using ImproperTorsion instances.
OutOfPlaneBendPotentialEnergy	Out-of-Plane Bend potential energy term using OutOfPlaneBend instances.
PiOrbitalTorsionPotentialEnergy	Pi-Orbital Torsion potential energy term using PiOrbitalTorsion instances.
RestrainDistancePotentialEnergy	Restrain-Distance potential energy term using RestrainDistance instances.
RestrainPositionPotentialEnergy	Restrain-Position potential energy term using RestrainPosition instances.
RestrainTorsionPotentialEnergy	Restrain-Torsion potential energy term using Torsion instances.
StretchBendPotentialEnergy	Stretch-Bend potential energy term using StretchBend instances.
StretchTorsionPotentialEnergy	Stretch-Torsion potential energy term using StretchTorsion instances.
TorsionPotentialEnergy	Torsion potential energy term using Torsion instances.
TorsionTorsionPotentialEnergy	Torsion-Torsion potential energy term using TorsionTorsion instances.
UreyBradleyPotentialEnergy	Urey-Bradley potential energy term using UreyBradley instances.