[gmx-users] surface tension coupling

[David van der Spoel]

Rongliang Wu wrote:
> Hello gmx-users,
>       will the surface tension coupling better than NVT to calculate surface tensions? since the surface tension coupling couple the surface tension to a fixed value, then how can it be acurate, i can set it to anyvalue(if i don't know the experimental data), then how can i get accurate values?
> 	
No, since the value will be waht you couple it to. You have to run 
normal isotropic coupling to compute surface pressure.


> 
> Thanks!
> 
> Regards!
>                     
> Sincerely,
> 
> Rongliang Wu
> State Key Laboratory
> of Polymer Physics and Chemistry
> Center of Molecular Science
> Institute of Chemistry
> Chinese Academy of Sciences
>  				
> 
> 　　　　　　　　　　wurl04 at iccas.ac.cn
> 　　　　　　　　　　2005-12-22
> 
> 
> ------------------------------------------------------------------------
> 
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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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