CMMotionRemover¶
-
class
OpenMM
::
CMMotionRemover
¶ 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.Methods
Create a
CMMotionRemover
.Get the frequency (in time steps) at which center of mass motion should be removed
Set the frequency (in time steps) at which center of mass motion should be removed
Returns whether or not this force makes use of periodic boundary conditions.
-
CMMotionRemover
(int frequency = 1)¶ Create a
CMMotionRemover()
.
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int
getFrequency
() const¶ Get the frequency (in time steps) at which center of mass motion should be removed
-
void
setFrequency
(int freq)¶ Set the frequency (in time steps) at which center of mass motion should be removed
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bool
usesPeriodicBoundaryConditions
() const¶ Returns whether or not this force makes use of periodic boundary conditions.
- Returns
true if force uses PBC and false otherwise
-