[gmx-users] Question about center-of-mass removal

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jul 11 07:32:57 CEST 2006

Jae Hyun Park wrote:
> Thank you, Mark.
> I have one more question for the confirmation. So, if there 
> is other asymmetries (e.g. initially the fluid is at one 
> side and the other side is empty, and as time goes on, it 
> spreads to the empty side - non-equilibrium process. In flow 
> direction there is no periodicty while periodic in other two 
> directions), do I have to turn off the center-of-mass 
> removal (e.g. nstcomm = 0) ? 

Good question, I don't know the answer to that one. Now you expect at 
least one component of the center-of-mass to have motion, but other 
components should not.


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