Package ffx.openmm

Class AndersenThermostat

java.lang.Object

ffx.openmm.Force

ffx.openmm.AndersenThermostat

public class AndersenThermostat
extends Force

This class uses the Andersen method to maintain constant temperature.

Field Summary

Fields inherited from class ffx.openmm.Force

pointer

Constructor Summary

Constructors

Constructor	Description
AndersenThermostat(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.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

AndersenThermostat

public AndersenThermostat(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.