Uses of Package
ffx.potential.terms
Packages that use ffx.potential.terms
Package
Description
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via 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.
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.
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Classes in ffx.potential.terms used by ffx.potentialClassDescriptionAngle potential energy term using
Angleinstances.Angle-Torsion potential energy term usingAngleTorsioninstances.Bond potential energy term usingBondinstances.Improper Torsion potential energy term usingImproperTorsioninstances.Out-of-Plane Bend potential energy term usingOutOfPlaneBendinstances.Pi-Orbital Torsion potential energy term usingPiOrbitalTorsioninstances.Restrain-Distance potential energy term usingRestrainDistanceinstances.Restrain-Position potential energy term usingRestrainPositioninstances.Restrain-Torsion potential energy term usingTorsioninstances.Stretch-Bend potential energy term usingStretchBendinstances.Stretch-Torsion potential energy term usingStretchTorsioninstances.Torsion potential energy term usingTorsioninstances.Torsion-Torsion potential energy term usingTorsionTorsioninstances.Urey-Bradley potential energy term usingUreyBradleyinstances. -
Classes in ffx.potential.terms used by ffx.potential.openmmClassDescriptionAngle potential energy term using
Angleinstances.Angle-Torsion potential energy term usingAngleTorsioninstances.Bond potential energy term usingBondinstances.Improper Torsion potential energy term usingImproperTorsioninstances.Out-of-Plane Bend potential energy term usingOutOfPlaneBendinstances.Pi-Orbital Torsion potential energy term usingPiOrbitalTorsioninstances.Restrain-Distance potential energy term usingRestrainDistanceinstances.Restrain-Position potential energy term usingRestrainPositioninstances.Restrain-Torsion potential energy term usingTorsioninstances.Stretch-Bend potential energy term usingStretchBendinstances.Stretch-Torsion potential energy term usingStretchTorsioninstances.Torsion potential energy term usingTorsioninstances.Torsion-Torsion potential energy term usingTorsionTorsioninstances.Urey-Bradley potential energy term usingUreyBradleyinstances. -
Classes in ffx.potential.terms used by ffx.potential.terms