[gmx-users] Decane/Water model

David van der Spoel spoel at xray.bmc.uu.se
Fri Jan 4 10:51:49 CET 2002

On Thu, 3 Jan 2002, 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?
I think a starting structure and topology are present in gromacs/share/top
Look for *dec*

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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