[gmx-users] surface tension coupling

[Erik Lindahl]

Hi,

Surface tension _coupling_ only works with the Berendsen algorithm.  
You can always calculate the current surface tension in the system.

Cheers,

Erik

On Dec 21, 2005, at 12:57 PM, Rongliang Wu wrote:

> Hello gmx-users,
>       my symulation system is two seperately eqilibriated phases  
> seperated by a interface, i used NVT ensemble to calculate the  
> surface tension. but the mannual3.2 page 26 said the surface  
> tension will only work with Berendsen coupling algorithm. then the  
> surface tension i get from NVT(by setting pcoupltype=no) is wrong?  
> and how will the surface tension calculation work for surface  
> tension coupling type if this only works for Berendsen coupling type?
>
> 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
> 　　　　　　　　　　2005-12-21
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-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>     Backup address:  
<erik.lindahl at gmail.com>
Assistant Professor, Computational Structural Biology
Stockholm Bioinformatics Center, Stockholm University, SE 106 91  
Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214