Package ffx.potential.openmm

Class AngleTorsionForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.CustomCompoundBondForce

ffx.potential.openmm.AngleTorsionForce

public class AngleTorsionForce
extends CustomCompoundBondForce

OpenMM Angle-Torsion Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
AngleTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Angle-Torsion Force.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Angle-Torsion Force.

Methods inherited from class ffx.openmm.CustomCompoundBondForce

addBond, addGlobalParameter, addPerBondParameter, destroy, setBondParameters, updateParametersInContext

Methods inherited from class ffx.openmm.Force

getForceGroup, getForceIndex, getName, getPointer, setForceGroup, setForceIndex, setName, usesPeriodicBoundaryConditions

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

AngleTorsionForce

public AngleTorsionForce(OpenMMEnergy openMMEnergy)

Create an OpenMM Angle-Torsion Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the Angle-Torsions.

Method Details

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Convenience method to construct an OpenMM Angle-Torsion Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the angle-torsions.

Returns:

An OpenMM Stretch-Bend Force, or null if there are no angle-torsion.