CMMotionRemover Class Reference

This class prevents the center of mass of a System from drifting. More...

Inheritance diagram for CMMotionRemover:

Public Member Functions
def	getFrequency
	getFrequency(CMMotionRemover self) -> int More...
def	setFrequency
	setFrequency(CMMotionRemover self, int freq) More...
def	usesPeriodicBoundaryConditions
	usesPeriodicBoundaryConditions(CMMotionRemover self) -> bool More...
def	__init__
	init(OpenMM::CMMotionRemover self, int frequency=1) -> CMMotionRemover init(OpenMM::CMMotionRemover self, CMMotionRemover other) -> CMMotionRemover More...
def	__del__
	del(OpenMM::CMMotionRemover self) More...
Public Member Functions inherited from Force
def	__init__
def	__del__
	del(OpenMM::Force self) More...
def	getForceGroup
	getForceGroup(Force self) -> int More...
def	setForceGroup
	setForceGroup(Force self, int group) More...
def	usesPeriodicBoundaryConditions
	usesPeriodicBoundaryConditions(Force self) -> bool More...
def	__copy__
def	__deepcopy__

Public Attributes
	this

Detailed Description

This class prevents the center of mass of a System from drifting.

At each time step, it calculates the center of mass momentum, then adjusts the individual particle velocities to make it zero.

Constructor & Destructor Documentation

def __init__	(		self,
			args
	)

init(OpenMM::CMMotionRemover self, int frequency=1) -> CMMotionRemover init(OpenMM::CMMotionRemover self, CMMotionRemover other) -> CMMotionRemover

Create a CMMotionRemover.

References simtk.openmm.openmm.stripUnits().

def __del__

(

self

)

del(OpenMM::CMMotionRemover self)

References simtk.openmm.openmm.stripUnits().

Member Function Documentation

def getFrequency	(		self,
			args
	)

getFrequency(CMMotionRemover self) -> int

Get the frequency (in time steps) at which center of mass motion should be removed

References simtk.openmm.openmm.stripUnits().

def setFrequency	(		self,
			args
	)

setFrequency(CMMotionRemover self, int freq)

Set the frequency (in time steps) at which center of mass motion should be removed

References simtk.openmm.openmm.stripUnits().

def usesPeriodicBoundaryConditions	(		self,
			args
	)

usesPeriodicBoundaryConditions(CMMotionRemover self) -> bool

Returns whether or not this force makes use of periodic boundary conditions.

References simtk.openmm.openmm.stripUnits().

Member Data Documentation

this

Referenced by System.__init__().

---

The documentation for this class was generated from the following file:

• openmm.py