Package ffx.potential.openmm

package ffx.potential.openmm

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
AmoebaGeneralizedKirkwoodForce
AmoebaGKCavitationForce	AmoebaCavitationForce.
AmoebaMultipoleForce	AmoebaMultipoleForce.
AmoebaTorsionTorsionForce	OpenMM TorsionTorsion Force.
AmoebaVdwForce	The Amoeba vdW Force.
AmoebaWcaDispersionForce
AngleForce	OpenMM Angle Force.
AngleTorsionForce	OpenMM Angle-Torsion Force.
BondForce	Bond Force.
CustomMTSIntegrator	OpenMM Custom MTS Integrator.
CustomMTSLangevinIntegrator	OpenMM Custom MTS Langevin Integrator.
FixedChargeAlchemicalForces	Fixed Charge Alchemical Forces.
FixedChargeGBForce	FixedChargeGBForce.
FixedChargeNonbondedForce	Define a fixed charge non-bonded force.
ImproperTorsionForce	OpenMM Improper Torsion Force.
InPlaneAngleForce	OpenMM In-Plane Angle Force.
OpenMMContext	Creates and manage an OpenMM Context.
OpenMMEnergy	Compute the potential energy and derivatives using OpenMM.
OpenMMIntegrator	Create and manage an OpenMM Integrator.
OpenMMState	Retrieve state information from an OpenMM Simulation.
OpenMMSystem	Create and manage an OpenMM System.
OutOfPlaneBendForce	OpenMM Out-of-Plane Bend Force.
PiOrbitalTorsionForce	OpenMM Pi-Orbital Torsion Force.
RestrainBondsForce	Restrain Bonds Force.
RestrainGroupsForce	Restrain Groups Force.
RestrainPositionsForce	Restrain Positions Force.
RestrainTorsionsForce	Restrain Torsions Force.
StretchBendForce	OpenMM Stretch-Bend Force.
StretchTorsionForce	OpenMM Stretch-Torsion Force.
TorsionForce
UreyBradleyForce	Urey-Bradley Force.