Uses of Class
ffx.potential.openmm.OpenMMEnergy

Packages that use OpenMMEnergy

Package	Description
ffx.algorithms.optimize	The Optimize package contains local and global optimization algorithms using pure Java and OpenMM code paths.
ffx.potential.openmm

Uses of OpenMMEnergy in ffx.algorithms.optimize

Constructors in ffx.algorithms.optimize with parameters of type OpenMMEnergy

Modifier	Constructor	Description
	MinimizeOpenMM(MolecularAssembly molecularAssembly, OpenMMEnergy openMMEnergy)
	MinimizeOpenMM(MolecularAssembly molecularAssembly, OpenMMEnergy openMMEnergy, AlgorithmListener algorithmListener)

Uses of OpenMMEnergy in ffx.potential.openmm

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

Modifier and Type	Method	Description
static Force	AmoebaGeneralizedKirkwoodForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an AMOEBA Generalized Kirkwood Force.
static Force	AmoebaGKCavitationForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an AMOEBA Cavitation Force.
static Force	AmoebaMultipoleForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an AMOEBA Multipole Force.
static Force	AmoebaTorsionTorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Torsion-Torsion Force.
static Force	AmoebaVdwForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an AMOEBA vdW force.
static Force	AmoebaWcaDispersionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an AMOEBA WCA Force.
static Force	AngleForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Angle Force.
static Force	AngleTorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Angle-Torsion Force.
static Force	BondForce.constructForce(OpenMMEnergy openMMEnergy)	Add a bond force to the OpenMM System.
static Force	FixedChargeGBForce.constructForce(OpenMMEnergy openMMEnergy)	Construct a GB force.
static Force	FixedChargeNonbondedForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Non-Bonded Force.
static Force	ImproperTorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Improper Torsion Force.
static Force	InPlaneAngleForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM In-Plane Angle Force.
static Force	OutOfPlaneBendForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Out-of-Plane Bend Force.
static Force	PiOrbitalTorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Pi-Orbital Torsion Force.
static Force	RestrainBondsForce.constructForce(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy)	Add a Restrain-Bond force to the OpenMM System.
static Force	RestrainGroupsForce.constructForce(OpenMMEnergy openMMEnergy)	Add a Restrain-Groups force to the OpenMM System.
static Force	RestrainPositionsForce.constructForce(OpenMMEnergy openMMEnergy)	Add a Restrain-Position force to the OpenMM System.
static Force	RestrainTorsionsForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Torsion Force.
static Force	StretchBendForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Stretch-Bend Force.
static Force	StretchTorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Stretch-Torsion Force.
static Force	TorsionForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Torsion Force.
static Force	UreyBradleyForce.constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Urey-Bradley Force.
void	OpenMMContext.update(String integratorName, double timeStep, double temperature, boolean forceCreation, OpenMMEnergy openMMEnergy)	Update the Context in which to run a simulation.
void	AmoebaGeneralizedKirkwoodForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update the force.
void	AmoebaGKCavitationForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update the Cavitation force.
void	AmoebaMultipoleForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)
void	AmoebaVdwForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update the vdW force.
void	AmoebaWcaDispersionForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update the WCA force.
void	AngleForce.updateForce(OpenMMEnergy openMMEnergy)	Update an existing angle force for the OpenMM System.
void	BondForce.updateForce(OpenMMEnergy openMMEnergy)	Update an existing bond force for the OpenMM System.
void	FixedChargeGBForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update the GB force.
void	FixedChargeNonbondedForce.updateForce(Atom[] atoms, OpenMMEnergy openMMEnergy)	Update an existing non-bonded force for the OpenMM System.
void	ImproperTorsionForce.updateForce(OpenMMEnergy openMMEnergy)	Update the Improper Torsion force.
void	InPlaneAngleForce.updateForce(OpenMMEnergy openMMEnergy)	Update an existing angle force for the OpenMM System.
void	OutOfPlaneBendForce.updateForce(OpenMMEnergy openMMEnergy)	Update an existing angle force for the OpenMM System.
void	PiOrbitalTorsionForce.updateForce(OpenMMEnergy openMMEnergy)	Update the Pi-Orbital Torsion force.
void	RestrainTorsionsForce.updateForce(OpenMMEnergy openMMEnergy)	Update the Restraint-Torsion force.
void	StretchBendForce.updateForce(OpenMMEnergy openMMEnergy)	Update this Stretch-Bend Force.
void	TorsionForce.updateForce(OpenMMEnergy openMMEnergy)	Update the Torsion force.
void	UreyBradleyForce.updateForce(OpenMMEnergy openMMEnergy)	Update the Urey-Bradley parameters in the OpenMM Context.

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

Modifier	Constructor	Description
	AmoebaGeneralizedKirkwoodForce(OpenMMEnergy openMMEnergy)
	AmoebaGKCavitationForce(OpenMMEnergy openMMEnergy)	Constructor.
	AmoebaMultipoleForce(OpenMMEnergy openMMEnergy)
	AmoebaTorsionTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM TorsionTorsion Force.
	AmoebaVdwForce(OpenMMEnergy openMMEnergy)	The Amoeba vdW Force constructor.
	AmoebaWcaDispersionForce(OpenMMEnergy openMMEnergy)	Create a new Amoeba WCA dispersion force.
	AngleForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Angle Force.
	AngleTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Angle-Torsion Force.
	BondForce(OpenMMEnergy openMMEnergy)	Bond Force constructor.
	FixedChargeAlchemicalForces(OpenMMEnergy openMMEnergy, FixedChargeNonbondedForce fixedChargeNonBondedForce)
	FixedChargeGBForce(OpenMMEnergy openMMEnergy)	FixedChargeGBForce constructor.
	FixedChargeNonbondedForce(OpenMMEnergy openMMEnergy)
	ImproperTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Improper Torsion Force.
	InPlaneAngleForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Angle Force.
	OpenMMContext(Platform requestedPlatform, Atom[] atoms, int enforcePBC, OpenMMEnergy openMMEnergy)	Create an OpenMM Context.
	OpenMMSystem(OpenMMEnergy openMMEnergy)	OpenMMSystem constructor.
	OutOfPlaneBendForce(OpenMMEnergy openMMEnergy)	Create an Out-of-Plane Bend Force.
	PiOrbitalTorsionForce(OpenMMEnergy openMMEnergy)	Create an Pi-Orbital Torsion Force.
	RestrainBondsForce(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy)	Restrain Bond Force constructor.
	RestrainGroupsForce(OpenMMEnergy openMMEnergy)	Restrain Groups Force constructor.
	RestrainPositionsForce(OpenMMEnergy openMMEnergy)	Restrain Positions Force constructor.
	RestrainTorsionsForce(OpenMMEnergy openMMEnergy)	Restrain Torsion Force constructor.
	StretchBendForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Stretch-Bend Force.
	StretchTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Stretch-Torsion Force.
	TorsionForce(OpenMMEnergy openMMEnergy)
	UreyBradleyForce(OpenMMEnergy openMMEnergy)	Urey-Bradly Force constructor.