[gmx-users] Conformation Search with Gromacs

[David van der Spoel]

Tandia, Adama wrote:
> Dear USERS,
> 
> Can one use Gromacs for conformation search? 
> If yes, how?

If you mean systematic search the answer is no. You can do energy 
minimization or MD.

> 
> Thanks,
> 
> Adama
> 
> _____________________________________
> 
> Adama Tandia
> Modeling & Simulation
> Corning INC
> SP-TD-01-01
> Corning, NY (USA)
> 
> Tel: 607 248 1036
> Fax: 607 974 3405
> www.corning.com
>  
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-- 
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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