CMMotionRemover Class Reference

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

Inheritance diagram for CMMotionRemover:

List of all members.

Public Member Functions
def	getFrequency
	getFrequency(self) -> int
def	setFrequency
	Set the frequency (in time steps) at which center of mass motion should be removed.
def	usesPeriodicBoundaryConditions
	usesPeriodicBoundaryConditions(self) -> bool
def	__init__
	__init__(self, frequency=1) -> CMMotionRemover __init__(self) -> CMMotionRemover __init__(self, other) -> CMMotionRemover
Public Attributes
	this

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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.

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Constructor & Destructor Documentation

def __init__	(		self,
			args
	)

__init__(self, frequency=1) -> CMMotionRemover __init__(self) -> CMMotionRemover __init__(self, other) -> CMMotionRemover

Create a CMMotionRemover.

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Member Function Documentation

def getFrequency

(

self

)

getFrequency(self) -> int

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

def setFrequency	(		self,
			freq
	)

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

def usesPeriodicBoundaryConditions

(

self

)

usesPeriodicBoundaryConditions(self) -> bool

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

Returns:

(bool) true if force uses PBC and false otherwise

Reimplemented from Force.

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Member Data Documentation

this

Reimplemented from Force.

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

• openmm.py