CMMotionRemover
¶
-
class CMMotionRemover : public OpenMM::Force¶
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.
Public Functions
-
explicit CMMotionRemover(int frequency = 1)¶
Create a CMMotionRemover.
-
inline 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
-
inline virtual bool usesPeriodicBoundaryConditions() const¶
Returns whether or not this force makes use of periodic boundary conditions.
- Returns
true if force uses PBC and false otherwise
-
explicit CMMotionRemover(int frequency = 1)¶