Package ffx.potential.openmm

Class BondForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.CustomBondForce

ffx.potential.openmm.BondForce

public class BondForce
extends CustomBondForce

Bond Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
BondForce(OpenMMEnergy openMMEnergy)	Bond Force constructor.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Add a bond force to the OpenMM System.
void	updateForce(OpenMMEnergy openMMEnergy)	Update an existing bond force for the OpenMM System.

Methods inherited from class ffx.openmm.CustomBondForce

addBond, addGlobalParameter, addPerBondParameter, destroy, 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

BondForce

public BondForce(OpenMMEnergy openMMEnergy)

Bond Force constructor.

Parameters:

openMMEnergy - OpenMM Energy that contains the Bond instances.

Method Details

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Add a bond force to the OpenMM System.

updateForce

public void updateForce(OpenMMEnergy openMMEnergy)

Update an existing bond force for the OpenMM System.