COM moves after restarting calculation
LS
laksh... at gmail.com
Mon May 23 15:12:31 UTC 2011
Hi,
I am performing a BOMD on an isolated system in a box with Wavelet Poisson
solver. I center the coordinates within the cell as required by the Poisson
solver. I find that when I restart the BOMD calculation (to do more time
steps), right at the beginning, there is a movement of the center of mass of
the entire system. Although, this is not going to affect the physics, it is
a distracting feature when viewing the final trajectory (for all the time
steps before and after the restart). Is there some way this can be avoided?
Thanks
Lakshmi
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