[gmx-users] Energy minimization
lindahl at cbr.su.se
Fri Mar 23 13:52:28 CET 2007
We'll see how the new list footer appears - I just added a link with
to the archive search page :-)
On Mar 23, 2007, at 1:03 PM, Tsjerk Wassenaar wrote:
> Read the archives on the gromacs user list. Search for "protein" "out
> of box" or something, and you'll get plenty of hits, even some from
> just a few days ago! Please do some homework before turning to a user
> On 3/23/07, Александр Журавлев <beneor at mail.ru>
>> Hie! When I try to make energy minimization of protein-ligand
>> system in water box, after beginning the protein immediately moves
>> out of water box leaving a hollow in water and ligand in the
>> hollow, after that minimization continues. How could it be explained?
>> Best regards!
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> Tsjerk A. Wassenaar, Ph.D.
> Junior UD (post-doc)
> Biomolecular NMR, Bijvoet Center
> Utrecht University
> Padualaan 8
> 3584 CH Utrecht
> The Netherlands
> P: +31-30-2539931
> F: +31-30-2537623
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