[gmx-users] Decane/Water model
paloureiro at biof.ufrj.br
Fri Jan 4 12:25:47 CET 2002
On Thursday, January 03, 2002 at 06:53:26 PM, Xiang(Simon) WANG wrote:
> 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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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.
Pedro L. Loureiro
e-mail: paloureiro at biof.ufrj.br
Webmail System of the Carlos Chagas Filho Biophysics Institute
Federal University of Rio de Janeiro - Brazil
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