[gmx-users] Regarding structure analysis of DNA

Justin Lemkul jalemkul at vt.edu
Mon Mar 3 15:16:34 CET 2014

On 3/3/14, 4:05 AM, Sathish Kumar wrote:
> Hai
>            I have done simulation of DNA on carbon nano tube surface. I want
> to calculate structural changes (means changes in stacking, puckering
> angles and bending of helix) in DNA. Can any suggest me how to calculate
> these things.

Chapter 8 describes all available analysis tools.  For more complicated things, 
you may need outside software like MDAnalysis or similar packages.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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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