Package ffx.potential.openmm

Class UreyBradleyForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.HarmonicBondForce

ffx.potential.openmm.UreyBradleyForce

public class UreyBradleyForce
extends HarmonicBondForce

Urey-Bradley Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
UreyBradleyForce(OpenMMEnergy openMMEnergy)	Urey-Bradly Force constructor.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Urey-Bradley Force.
void	updateForce(OpenMMEnergy openMMEnergy)	Update the Urey-Bradley parameters in the OpenMM Context.

Methods inherited from class ffx.openmm.HarmonicBondForce

addBond, 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

UreyBradleyForce

public UreyBradleyForce(OpenMMEnergy openMMEnergy)

Urey-Bradly Force constructor.

Parameters:

openMMEnergy - The OpenMMEnergy instance that contains the Urey-Bradley terms.

Method Details

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Convenience method to construct an OpenMM Urey-Bradley Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the angles.

Returns:

An OpenMM Urey-Bradley Force, or null if there are no Urey-Bradley.

updateForce

public void updateForce(OpenMMEnergy openMMEnergy)

Update the Urey-Bradley parameters in the OpenMM Context.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the Urey-Bradley terms.