[gmx-users] MD simulation of 2 molecules in a system

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 10 09:31:59 CEST 2007


Alif M Latif wrote:
> Dear GROMACS users,
> 
> I was wondering if GROMACS can run MD simulation of two molecules in one 
> system (box+spc water). This two molecules have the hydrophobic and 
> polarity effects which i want to see through the simulation. Can anybody 
> suggest how to do it? I cant find it in the manual (or maybe i missed 
> them). Any suggestion will be welcomed and very much appreciated. Thanks 
> a lot..
> 
> Alif.
> 
of course you can have as many molecules as you like.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
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