[gmx-users] Grid: 19 x 14 x 14 cells

David van der Spoel spoel at xray.bmc.uu.se
Sun Dec 2 09:49:04 CET 2007


Dechang Li wrote:
> Dear all,
>    
>     During my simulation, in the md.log file there always appeared 
> 
> Grid: 19 x 14 x 14 cells
> Grid: 18 x 14 x 14 cells
> Grid: 19 x 14 x 14 cells
> Grid: 18 x 14 x 14 cells
> Grid: 19 x 14 x 14 cells
> Grid: 18 x 14 x 14 cells
> Grid: 19 x 14 x 14 cells 
> 
>     What did it mean? 
it is the grid used for neighborsearching. this is perfectly normal when
you have a fluctuating box due to pressure coupling
> 
> Best regards,
> 
> 2007-12-2
>         
> 
> ========================================= 				
> Dechang Li, PhD Candidate
> Department of Engineering Mechanics
> Tsinghua University
> Beijing 100084
> PR China 
> 
> Tel:   +86-10-62773779(O) 
> Email: li.dc06 at gmail.com
> =========================================     
> 
> 
> ------------------------------------------------------------------------
> 
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se



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