Package ffx.potential.openmm

Class TorsionForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.PeriodicTorsionForce

ffx.potential.openmm.TorsionForce

public class TorsionForce
extends PeriodicTorsionForce

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
TorsionForce(OpenMMEnergy openMMEnergy)

Method Summary

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

TorsionForce

public TorsionForce(OpenMMEnergy openMMEnergy)

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 Torsion Force.

Parameters:

openMMEnergy - The OpenMM Energy instance that contains the torsions.

Returns:

A Torsion Force, or null if there are no torsions.

updateForce

public void updateForce(OpenMMEnergy openMMEnergy)

Update the Torsion force.

Parameters:

openMMEnergy - The OpenMM Energy that contains the torsions.