Uses of Class
ffx.potential.openmm.OpenMMDualTopologyEnergy

Packages that use OpenMMDualTopologyEnergy

Package	Description
ffx.potential.openmm	The openmm package contains utilities to construct and run Force Field X potentials on the OpenMM platform, including system builders, custom forces, alchemical fixed-charge forces, and integrators tailored to FFX simulations.

Uses of OpenMMDualTopologyEnergy in ffx.potential.openmm

Methods in ffx.potential.openmm with parameters of type OpenMMDualTopologyEnergy

Modifier and Type	Method	Description
static Force	AmoebaMultipoleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct an AMOEBA Multipole Force.
static Force	AmoebaTorsionTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual Topology OpenMM Torsion-Torsion Force.
static Force	AmoebaVdwForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct an AMOEBA vdW force for a dual-topology simulation.
static Force	AngleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Add a bond force to the OpenMM System
static Force	AngleTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual Topology OpenMM Angle-Torsion Force.
static Force	BondForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Add a bond force to the OpenMM System.
static Force	ImproperTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual Topology OpenMM Improper Torsion Force.
static Force	InPlaneAngleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual Topology OpenMM In-Plane Angle Force.
static Force	OutOfPlaneBendForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual-Topology OpenMM Out-of-Plane Bend Force.
static Force	PiOrbitalTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual-Topology OpenMM Pi-Orbital Torsion Force.
static Force	RestrainTorsionsForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual-Topology OpenMM Torsion Force.
static Force	StretchBendForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual-Topology OpenMM Stretch-Bend Force.
static Force	StretchTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual Topology OpenMM Stretch-Torsion Force.
static Force	TorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct a Dual-Topology OpenMM Torsion Force.
static Force	UreyBradleyForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Convenience method to construct an OpenMM Urey-Bradley Force.
void	AmoebaMultipoleForce.updateForce(Atom[] atoms, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the force parameters for the AMOEBA Multipole Force in a dual topology system.
void	AmoebaVdwForce.updateForce(Atom[] atoms, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the vdW force.
void	AngleForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update an existing angle force for the OpenMM System.
void	AngleTorsionForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Dual Topology Angle-Torsion Force.
void	BondForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update an existing bond force for the OpenMM System.
void	ImproperTorsionForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Dual Topology Improper Torsion force.
void	InPlaneAngleForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update an existing angle force for the Dual Topology OpenMM System.
void	OutOfPlaneBendForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update an existing angle force for the Dual-Topology OpenMM System.
void	PiOrbitalTorsionForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Pi-Orbital Torsion force.
void	RestrainTorsionsForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Restraint-Torsion force.
void	StretchBendForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update existing Stretch-Bend Force for the Dual-Topology OpenMM System.
void	StretchTorsionForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Dual Topology Stretch-Torsion Force.
void	TorsionForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Torsion force.
void	UreyBradleyForce.updateForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Update the Urey-Bradley parameters in the OpenMM Context.

Constructors in ffx.potential.openmm with parameters of type OpenMMDualTopologyEnergy

Modifier	Constructor	Description
	AmoebaMultipoleForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Construct an AMOEBA Multipole Force.
	AmoebaTorsionTorsionForce(TorsionTorsionPotentialEnergy torsionTorsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create a Dual Topology OpenMM TorsionTorsion Force.
	AmoebaVdwForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	The Amoeba vdW Force constructor used for dual-topology simulations.
	AngleForce(AnglePotentialEnergy anglePotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create an OpenMM Angle Force.
	AngleTorsionForce(AngleTorsionPotentialEnergy angleTorsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create a Dual Topology OpenMM Angle-Torsion Force.
	BondForce(BondPotentialEnergy bondPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Bond Force constructor.
	ImproperTorsionForce(ImproperTorsionPotentialEnergy improperTorsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create a Dual Topology OpenMM Improper Torsion Force.
	InPlaneAngleForce(AnglePotentialEnergy anglePotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create a Dual Topology OpenMM Angle Force.
	OpenMMDualTopologySystem(OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	OpenMMDualTopologyEnergy constructor.
	OutOfPlaneBendForce(OutOfPlaneBendPotentialEnergy outOfPlaneBendPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create an Out-of-Plane Bend Force for Dual Topology.
	PiOrbitalTorsionForce(PiOrbitalTorsionPotentialEnergy piOrbitalTorsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create an Pi-Orbital Torsion Force for Dual Topology.
	RestrainTorsionsForce(RestrainTorsionPotentialEnergy restrainTorsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Restrain Torsion Force constructor for Dual Topology.
	StretchBendForce(StretchBendPotentialEnergy stretchBendPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create an OpenMM Stretch-Bend Force for Dual Topology.
	StretchTorsionForce(StretchTorsionPotentialEnergy stretchPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Create a Dual Topology OpenMM Stretch-Torsion Force.
	TorsionForce(TorsionPotentialEnergy torsionPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Torsion Force constructor for Dual Topology.
	UreyBradleyForce(UreyBradleyPotentialEnergy ureyBradleyPotentialEnergy, int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy)	Urey-Bradly Force constructor.