CMMotionRemover¶
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class
simtk.openmm.openmm.
CMMotionRemover
(*args)¶ 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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__init__
(self, frequency=1) → CMMotionRemover¶ __init__(self) -> CMMotionRemover __init__(self, other) -> CMMotionRemover
Create a CMMotionRemover.
Methods
__init__
((self[, frequency])__init__(self) -> CMMotionRemover getForceGroup
((self) -> int)Get the force group this Force belongs to. getFrequency
((self) -> int)Get the frequency (in time steps) at which center of mass motion should be removed setForceGroup
(self, group)Set the force group this Force belongs to. setFrequency
(self, freq)Set the frequency (in time steps) at which center of mass motion should be removed usesPeriodicBoundaryConditions
((self) -> bool)Returns whether or not this force makes use of periodic boundary conditions. -
getFrequency
(self) → int¶ Get the frequency (in time steps) at which center of mass motion should be removed
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setFrequency
(self, freq)¶ Set the frequency (in time steps) at which center of mass motion should be removed
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usesPeriodicBoundaryConditions
(self) → bool¶ Returns whether or not this force makes use of periodic boundary conditions.
Returns: true if force uses PBC and false otherwise Return type: bool
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__copy__
(self) → Force¶
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getForceGroup
(self) → int¶ Get the force group this Force belongs to.
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setForceGroup
(self, group)¶ Set the force group this Force belongs to.
Parameters: group (int) – the group index. Legal values are between 0 and 31 (inclusive).
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