[gmx-users] (no subject)

[David]

On Sat, 2005-11-19 at 21:28 +0800, Rongliang Wu wrote:
>  
> Hello gmx-users,
>  
> 　　i've got a question: why after EM
> and MD, the presure of my system is
> still large and it fluctuates
> rather fiercely,about 500
> bar, while the potential has come
> to equilibrization. i've refered to
> others and they have similar
> problems. is it possible that a
> system has presure of hundreds of
> bars?  
>  
> Thanks!
>  
> Best wishes!
>                       
>                    Sincerely,
>  　　　　　　          Rongliang Wu
>                        wurl04 at iccas.ac.cn
>                        2005-11-19
>                                    
> 

did you use P coupling?



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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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