[gmx-users] Decane/Water model

[paloureiro]

On Thursday, January 03, 2002 at 06:53:26 PM, Xiang(Simon) WANG wrote:

> Hi,
> 
> Can someone enlighten me how to build the water/decane/water three-phase
> model (van Buuren, A. R.; Marrink, S. J.; Berendsen H. J. C. J. Phys.
> Chem. 1993, 97. 9206-9212.), used by Dr. Dale F. Mierke a lot in studies
> of receptor? Are we able to build it from scratch just by using editconf
> and genbox or there are special technics?
> 
> Thanks in advance for any advices,
> 
> 
> X. Wang
> 
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Dear Xiang,

I have not read the reference you gave, but I have built a three phase system consisting of a decane bilayer surrounded by water, using dec50.gro file (in .../top directory) and the program genconf.

Regards

Pedro L. Loureiro
paloureiro
e-mail: paloureiro at biof.ufrj.br


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