Package ffx.potential.openmm

Class OpenMMAndersenThermostat

java.lang.Object

ffx.potential.openmm.OpenMMForce

ffx.potential.openmm.OpenMMAndersenThermostat

public class OpenMMAndersenThermostat
extends OpenMMForce

OpenMM AndersenThermostat.

Field Summary

Fields inherited from class ffx.potential.openmm.OpenMMForce

forcePointer

Constructor Summary

Constructors

Constructor	Description
OpenMMAndersenThermostat(double temperature, double frequency)	OpenMM AndersenThermostat constructor.

Method Summary

Modifier and Type	Method	Description
void	destroy()	Destroy the force.
void	setDefaultCollisionFrequency(double frequency)	Set the default collision frequency.
void	setDefaultTemperature(double temperature)	Set the default temperature.

Methods inherited from class ffx.potential.openmm.OpenMMForce

constructForce, 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

OpenMMAndersenThermostat

public OpenMMAndersenThermostat(double temperature,
 double frequency)

OpenMM AndersenThermostat constructor.

Parameters:

temperature - The temperature.

frequency - The collision frequency.

Method Details

setDefaultTemperature

public void setDefaultTemperature(double temperature)

Set the default temperature.

Parameters:

temperature - The temperature.

setDefaultCollisionFrequency

public void setDefaultCollisionFrequency(double frequency)

Set the default collision frequency.

Parameters:

frequency - The collision frequency.

destroy

public void destroy()

Destroy the force.