[gmx-users] Interface solvents

David spoel at xray.bmc.uu.se
Sat Jun 21 14:15:02 CEST 2003


On Sat, 2003-06-21 at 13:58, aswin narain wrote:
> Dear gmx-users
> I have a doubt. How do I create a solvent box which
> contains an interface mixture of water and an alkane,
> say hexane. What are the commands that I shoud use for
> the same.
there is a sample box with decane (dec50.gro IIRC)
just add water and simulate for a ns or so, and you will have  a decent
interface.
> 
> Thanx (thanx for the response to my earlier mail :
> Some basics)
> 
> Yours
> Aswin
> 
> =====
>  Aswin Sai Narain. S
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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