Package ffx.potential.openmm

Class AngleForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.CustomAngleForce

ffx.potential.openmm.AngleForce

public class AngleForce
extends CustomAngleForce

OpenMM Angle Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
AngleForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Angle Force.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Angle Force.
void	updateForce(OpenMMEnergy openMMEnergy)	Update an existing angle force for the OpenMM System.

Methods inherited from class ffx.openmm.CustomAngleForce

addAngle, addPerAngleParameter, setAngleParameters, 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

AngleForce

public AngleForce(OpenMMEnergy openMMEnergy)

Create an OpenMM Angle Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the angles.

Method Details

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Convenience method to construct an OpenMM Angle Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the angles.

Returns:

An Angle Force, or null if there are no angles.

updateForce

public void updateForce(OpenMMEnergy openMMEnergy)

Update an existing angle force for the OpenMM System.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the angles.