Erik, 

Do you mean that if the particle diffuses too fast, it will appear like it 
doesn't move because of the PBC? 

I have another issue. If I have a polymer chain with the length almost the same 
as the box length. It is possible that the COM diffusion of the chain may 
appear it does not move or move backward due to PBC, right? 

Thank you so much! 

Shirley

On May 22, 2013, at 10:31 AM, <gmx-users-requ...@gromacs.org>
 wrote:

>  Re: MSD and  frequency of writing  trajectories


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