Uses of Class
ffx.potential.bonded.ImproperTorsion
Packages that use ImproperTorsion
Package
Description
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
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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Uses of ImproperTorsion in ffx.potential.bonded
Methods in ffx.potential.bonded that return types with arguments of type ImproperTorsionModifier and TypeMethodDescriptionMSNode.getImproperTorsionList()
Returns a List of all ImproperTorsions below the present MSNode. -
Uses of ImproperTorsion in ffx.potential.terms
Methods in ffx.potential.terms that return ImproperTorsionModifier and TypeMethodDescriptionImproperTorsionPotentialEnergy.getImproperTorsion
(int index) Get the ImproperTorsion at a given index.ImproperTorsionPotentialEnergy.getImproperTorsionArray()
Get an array of ImproperTorsions in this term.Methods in ffx.potential.terms that return types with arguments of type ImproperTorsionModifier and TypeMethodDescriptionImproperTorsionPotentialEnergy.getImproperTorsions()
Get an unmodifiable view of the ImproperTorsions in this term.Methods in ffx.potential.terms with parameters of type ImproperTorsionModifier and TypeMethodDescriptionboolean
ImproperTorsionPotentialEnergy.addImproperTorsion
(ImproperTorsion improperTorsion) Add an ImproperTorsion to this term.boolean
ImproperTorsionPotentialEnergy.addImproperTorsions
(ImproperTorsion[] improperTorsions) Add an array of ImproperTorsions to this term.boolean
ImproperTorsionPotentialEnergy.removeImproperTorsion
(ImproperTorsion improperTorsion) Remove an ImproperTorsion from this term.Method parameters in ffx.potential.terms with type arguments of type ImproperTorsionModifier and TypeMethodDescriptionboolean
ImproperTorsionPotentialEnergy.addImproperTorsions
(List<ImproperTorsion> improperTorsions) Add a list of ImproperTorsions to this term.Constructor parameters in ffx.potential.terms with type arguments of type ImproperTorsionModifierConstructorDescriptionImproperTorsionPotentialEnergy
(String name, int forceGroup, List<ImproperTorsion> improperTorsions) Create an ImproperTorsionPotentialEnergy initialized with a list of terms and force group.ImproperTorsionPotentialEnergy
(String name, Collection<ImproperTorsion> improperTorsions) Create an ImproperTorsionPotentialEnergy initialized with a collection of terms.