[gmx-users] RMSD of a structure (was: gromacs.org_gmx-users Digest, Vol 118, Issue 73)

Justin Lemkul jalemkul at vt.edu
Wed Feb 19 14:40:59 CET 2014

Please use an informative title for new questions.

On 2/19/14, 2:52 AM, Raghunath Satpathy wrote:
> Can any body explain how to calculate RMSD of only alpha helix and beta sheet of a protein in
> Gromacs

Use an index group corresponding to those atoms.



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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