[gmx-users] question

Justin Lemkul jalemkul at vt.edu
Fri Dec 6 20:28:13 CET 2013

On 12/6/13 5:08 AM, Andrew Bostick wrote:
> Dear Justin
> Very thanks for your answers.
> Since you have more experience, can you tell me some modeling programs,
> web servers that will rebuild missing atoms, residues, or loops. After
> addition of
> missing atoms or residues, how to optimize new structure?

Google can tell you plenty, and it is really a simple matter of preference. 
Optimization is done via normal energy minimization if the programs generating 
the structure don't do the optimization for you.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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