Package ffx.potential.openmm

Class RestrainTorsionsForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.PeriodicTorsionForce

ffx.potential.openmm.RestrainTorsionsForce

public class RestrainTorsionsForce
extends PeriodicTorsionForce

Restrain Torsions Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
RestrainTorsionsForce(OpenMMEnergy openMMEnergy)	Restrain Torsion Force constructor.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Convenience method to construct an OpenMM Torsion Force.
void	updateForce(OpenMMEnergy openMMEnergy)	Update the Restraint-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

RestrainTorsionsForce

public RestrainTorsionsForce(OpenMMEnergy openMMEnergy)

Restrain Torsion Force constructor.

Parameters:

openMMEnergy - The OpenMM Energy that contains the restraint-torsions.

Method Details

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 Restraint-Torsion force.

Parameters:

openMMEnergy - The OpenMM Energy that contains the restraint-torsions.