Package ffx.potential.openmm

Class ImproperTorsionForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.PeriodicTorsionForce

ffx.potential.openmm.ImproperTorsionForce

public class ImproperTorsionForce
extends PeriodicTorsionForce

OpenMM Improper Torsion Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
ImproperTorsionForce(OpenMMEnergy openMMEnergy)	Create an OpenMM Improper Torsion Force.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Improper Torsion Force.
void	setLambdaTorsion(double lambdaTorsion)	Set the lambda torsion scale factor.
void	updateForce(OpenMMEnergy openMMEnergy)	Update the Improper Torsion force.

Methods inherited from class ffx.openmm.PeriodicTorsionForce

addTorsion, destroy, setTorsionParameters, 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

ImproperTorsionForce

public ImproperTorsionForce(OpenMMEnergy openMMEnergy)

Create an OpenMM Improper Torsion Force.

Parameters:

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

Method Details

setLambdaTorsion

public void setLambdaTorsion(double lambdaTorsion)

Set the lambda torsion scale factor.

Parameters:

lambdaTorsion - The lambda torsion scale factor.

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Convenience method to construct an OpenMM Improper Torsion Force.

Parameters:

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

Returns:

An Improper Torsion Force, or null if there are no improper torsions.

updateForce

public void updateForce(OpenMMEnergy openMMEnergy)

Update the Improper Torsion force.

Parameters:

openMMEnergy - The OpenMM Energy that contains the improper torsions.