Uses of Class
ffx.openmm.Force
Packages that use Force
Package
Description
The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API
 for the AMOEBA model.
The Drude package includes Java classes that are analogues of the OpenMM C++ API
 for the Charmm Drude model.
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.
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Uses of Force in ffx.openmmSubclasses of Force in ffx.openmmModifier and TypeClassDescriptionclassThis class uses the Andersen method to maintain constant temperature.classThe ATMForce class implements the Alchemical Transfer Method (ATM) for OpenMM.classThis class implements an interaction between pairs of dihedral angles.classThis class prevents the center of mass of a System from drifting.classThis class implements interactions between sets of three particles that depend on the angle between them.classThis class implements bonded interactions between pairs of particles.classThis class is similar to CustomCompoundBondForce, but instead of applying forces between individual particles, it applies them between the centers of groups of particles.classThis class supports a wide variety of bonded interactions.classThis class supports energy functions that depend on collective variables.classThis class implements an "external" force on particles.classThis class implements complex, multiple stage nonbonded interactions between particles.classThis class supports a wide variety of energy functions used to represent hydrogen bonding.classThis class supports a wide variety of nonbonded N-particle interactions, where N is user specified.classThis class implements nonbonded interactions between particles.classThis class implements interactions between sets of four particles that depend on the torsion angle between them.classThis class computes an energy that depends only on the volume of the periodic box, or more generally on the box shape as specified by the elements of the box vectors.classThis class implements the Gay-Berne anisotropic potential.classThis class implements an implicit solvation force using the GBSA-OBC model.classThis class implements an interaction between groups of three particles that varies harmonically with the angle between them.classThis class implements an interaction between pairs of particles that varies harmonically with the distance between them.classThis class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure.classThis class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure.classThis class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure.classThis class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure and surface tension on a membrane system.classThis class implements nonbonded interactions between particles, including a Coulomb force to represent electrostatics and a Lennard-Jones force to represent van der Waals interactions.classThis class implements an interaction between groups of four particles that varies periodically with the torsion angle between them.classThis class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential.classThis is a force whose energy equals the root mean squared deviation (RMSD) between the current coordinates and a reference structure.Methods in ffx.openmm that return ForceMethods in ffx.openmm with parameters of type Force
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Uses of Force in ffx.openmm.amoebaSubclasses of Force in ffx.openmm.amoebaModifier and TypeClassDescriptionclassThis class implements an implicit solvation force using the Amoeba Generalized Kirkwood model.classImplicit Solvent Cavitation Force.classThis class implements all nonbonded interactions in the HIPPO force field: electrostatics, induction, charge transfer, dispersion, and repulsion.classThis class implements the Amoeba multipole interaction.classThis class implements the Amoeba torsion-torsion interaction.classThis class models van der Waals forces in the AMOEBA force field.classThis class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model.
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Uses of Force in ffx.openmm.drudeSubclasses of Force in ffx.openmm.drudeModifier and TypeClassDescriptionclassThis class implements forces that are specific to Drude oscillators.
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Uses of Force in ffx.potential.openmmSubclasses of Force in ffx.potential.openmmModifier and TypeClassDescriptionclassclassAmoebaCavitationForce.classAmoebaMultipoleForce.classOpenMM TorsionTorsion Force.classThe Amoeba vdW Force.classclassOpenMM Angle Force.classOpenMM Angle-Torsion Force.classBond Force.classFixedChargeGBForce.classDefine a fixed charge non-bonded force.classOpenMM Improper Torsion Force.classOpenMM In-Plane Angle Force.classOpenMM Out-of-Plane Bend Force.classOpenMM Pi-Orbital Torsion Force.classRestrain-Distance Force.classRestrain Groups Force.classRestrain Positions Force.classRestrain Torsions Force.classOpenMM Stretch-Bend Force.classOpenMM Stretch-Torsion Force.classTorsion Force.classUrey-Bradley Force.Methods in ffx.potential.openmm that return ForceModifier and TypeMethodDescriptionstatic ForceAmoebaGeneralizedKirkwoodForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an AMOEBA Generalized Kirkwood Force.static ForceAmoebaGKCavitationForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an AMOEBA Cavitation Force.static ForceAmoebaMultipoleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct an AMOEBA Multipole Force.static ForceAmoebaMultipoleForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an AMOEBA Multipole Force.static ForceAmoebaTorsionTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual Topology OpenMM Torsion-Torsion Force.static ForceAmoebaTorsionTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Torsion-Torsion Force.static ForceAmoebaVdwForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct an AMOEBA vdW force for a dual-topology simulation.static ForceAmoebaVdwForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an AMOEBA vdW force.static ForceAmoebaWcaDispersionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an AMOEBA WCA Force.static ForceAngleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Add a bond force to the OpenMM Systemstatic ForceAngleForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Angle Force.static ForceAngleTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual Topology OpenMM Angle-Torsion Force.static ForceAngleTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Angle-Torsion Force.static ForceBondForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Add a bond force to the OpenMM System.static ForceBondForce.constructForce(OpenMMEnergy openMMEnergy) Creat a bond force for the OpenMM System.static ForceFixedChargeGBForce.constructForce(OpenMMEnergy openMMEnergy) Construct a GB force.static ForceFixedChargeNonbondedForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Non-Bonded Force.static ForceImproperTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual Topology OpenMM Improper Torsion Force.static ForceImproperTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Improper Torsion Force.static ForceInPlaneAngleForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual Topology OpenMM In-Plane Angle Force.static ForceInPlaneAngleForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM In-Plane Angle Force.static ForceOutOfPlaneBendForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual-Topology OpenMM Out-of-Plane Bend Force.static ForceOutOfPlaneBendForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Out-of-Plane Bend Force.static ForcePiOrbitalTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual-Topology OpenMM Pi-Orbital Torsion Force.static ForcePiOrbitalTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Pi-Orbital Torsion Force.static ForceRestrainDistanceForce.constructForce(BondType.BondFunction bondFunction, OpenMMEnergy openMMEnergy) Add a Restrain-Bond force to the OpenMM System.static ForceRestrainGroupsForce.constructForce(OpenMMEnergy openMMEnergy) Add a Restrain-Groups force to the OpenMM System.static ForceRestrainPositionsForce.constructForce(OpenMMEnergy openMMEnergy) Add a Restrain-Position force to the OpenMM System.static ForceRestrainTorsionsForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual-Topology OpenMM Torsion Force.static ForceRestrainTorsionsForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Torsion Force.static ForceStretchBendForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual-Topology OpenMM Stretch-Bend Force.static ForceStretchBendForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Stretch-Bend Force.static ForceStretchTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual Topology OpenMM Stretch-Torsion Force.static ForceStretchTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Stretch-Torsion Force.static ForceTorsionForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct a Dual-Topology OpenMM Torsion Force.static ForceTorsionForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Torsion Force.static ForceUreyBradleyForce.constructForce(int topology, OpenMMDualTopologyEnergy openMMDualTopologyEnergy) Convenience method to construct an OpenMM Urey-Bradley Force.static ForceUreyBradleyForce.constructForce(OpenMMEnergy openMMEnergy) Convenience method to construct an OpenMM Urey-Bradley Force.Methods in ffx.potential.openmm with parameters of type ForceModifier and TypeMethodDescriptionvoidOpenMMSystem.removeForce(Force force) Remove a force from the OpenMM System.