[CP2K:3267] COM moves after restarting calculation

[Teodoro Laino]

switch off the "center molecule" (which very probably is in your input file)

On May 23, 2011, at 5:12 PM, LS wrote:

> 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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