[gmx-users] Energy minimization

[Erik Lindahl]

Hi,

We'll see how the new list footer appears - I just added a link with  
to the archive search page :-)

Cheers,

Erik

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
> list.
>
> Tsjerk
>
> On 3/23/07, Александр Журавлев <beneor at mail.ru>  
> wrote:
>>
>>
>> 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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