[gmx-users] pressure in NVT simulations

[David van der Spoel]

On Thu, 2003-04-03 at 10:08, Ester Chiessi wrote:
> Hi ,
> 
> I have a doubt. Are pressure values meaningful in NVT molecular dynamics
> simulations?
> I 'm obtaining pressure values around (1000 +/- 1000) bar.
> 
yes, that means your density is too high (unless you want high
pressure...)

> Thanks
> 
> Ester
> 
> 
> --
> Ester Chiessi
> Dipartimento di Scienze e Tecnologie Chimiche
> Universita' di Roma "Tor Vergata"
> Via della Ricerca Scientifica
> 00133 Roma (Italy)
> http://www.stc.uniroma2.it/cfmacro/cfmacroindex.htm
> e-mail: ester.chiessi at uniroma2.it
> Phone: 39*6*72594462
>        39*6*72594874
> Fax:39*6*72594328
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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