velocities in MD
Posted: Fri Jun 29, 2007 10:45 am
When running a surface simulation using MD capabilities, we obtain velocities around zero for x and y components, while in the z direction values are of the order they should be according to the expected Maxwell Boltzmann distribution.
The simulation is carried out with normal periodic boundary conditions in the x and y directions and in the z direction the box length is set to a large number. Temperature is controlled using a simple rescaling scheme.:
SMASS=-1,NBLOCK=1.
Does anybody know why velocities are so different in the different directions?
The simulation is carried out with normal periodic boundary conditions in the x and y directions and in the z direction the box length is set to a large number. Temperature is controlled using a simple rescaling scheme.:
SMASS=-1,NBLOCK=1.
Does anybody know why velocities are so different in the different directions?