From: Nd S (navdeep79_at_gmail.com)
Date: Fri Sep 26 2008 - 10:12:00 CDT
Can you please explain *minLineGoal*.
Also In minimization we define only the number of steps, is there any
criteria to terminate minimization before the number of mentioned steps.
On Fri, Sep 26, 2008 at 7:19 AM, Chris Harrison <char_at_ks.uiuc.edu> wrote:
> 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
> >> 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
> >> 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
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-- -------------------------------------------- Gig'em Navdeep Singh
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