Package ffx.potential.openmm

Class RestrainGroupsForce

java.lang.Object

ffx.openmm.Force

ffx.openmm.CustomCentroidBondForce

ffx.potential.openmm.RestrainGroupsForce

public class RestrainGroupsForce
extends CustomCentroidBondForce

Restrain Groups Force.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
RestrainGroupsForce(OpenMMEnergy openMMEnergy)	Restrain Groups Force constructor.

Method Summary

Modifier and Type	Method	Description
static Force	constructForce(OpenMMEnergy openMMEnergy)	Add a Restrain-Groups force to the OpenMM System.

Methods inherited from class ffx.openmm.CustomCentroidBondForce

addBond, addEnergyParameterDerivative, addGlobalParameter, addGroup, addPerBondParameter, destroy, getBondParameters, getEnergyFunction, getEnergyParameterDerivativeName, getGlobalParameterDefaultValue, getGlobalParameterName, getGroupParameters, getNumBonds, getNumEnergyParameterDerivatives, getNumFunctions, getNumGlobalParameters, getNumGroups, getNumGroupsPerBond, getNumPerBondParameters, getNumTabulatedFunctions, getPerBondParameterName, setBondParameters, setEnergyFunction, setGlobalParameterDefaultValue, setGlobalParameterName, setGroupParameters, setPerBondParameterName, setUsesPeriodicBoundaryConditions, updateParametersInContext, usesPeriodicBoundaryConditions

Methods inherited from class ffx.openmm.Force

getForceGroup, getForceIndex, getName, getPointer, setForceGroup, setForceIndex, setName

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

RestrainGroupsForce

public RestrainGroupsForce(OpenMMEnergy openMMEnergy)

Restrain Groups Force constructor.

Parameters:

openMMEnergy - The OpenMM Energy.

Method Details

constructForce

public static Force constructForce(OpenMMEnergy openMMEnergy)

Add a Restrain-Groups force to the OpenMM System.