Re: minimization

From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Fri Sep 26 2008 - 07:19:21 CDT

http://www.ks.uiuc.edu/Research/namd/2.6/ug/node11.html#996

http://www.ks.uiuc.edu/Research/namd/2.6/ug/node29.html#8242

On Fri, Sep 26, 2008 at 7:03 AM, jose correa <corrjose_at_gmail.com> wrote:
> 2008/9/25 Audrey Salazar <alsalazar_at_u.northwestern.edu>:
>> Hi
>> So there is a bit more to this explanation, but it isn't phrased the best
>> way, so I am going to just send this to you. I think that the point of
>> "minimize" is to get rid of high-energy spikes caused by how "artificial"
>> the initial configurations of the system usually are. If you would like
>> more information, I can send you URL's for other relevant posts on the
>> listserv tomorrow that might help explain what is going on in different
>> words.
>>
>> Thanks,
>>
>> Audrey
>>
>> On 9/25/08, jose correa <corrjose_at_gmail.com> wrote:
>>>
>>> Dear all
>>> I see that somebody carry out the protein minimization at 0, 300, 310
>>> K or other gays mention that this step is temperature-independent of
>>> the protein-membrane-water, according your experience, what is the
>>> most recomendable?.
>>> Best wishes
>>>
>>> Jose Correa
>
>
> Dear all, thank you for help me. Andrey, if you have more information,
> please send me that.
> Best wishes
> Jose
>>
>>
>
>

-- 
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu Voice: 217-244-1733
http://www.ks.uiuc.edu/~char Fax: 217-244-6078

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