[gmx-users] RMSD

Justin Lemkul jalemkul at vt.edu
Thu May 8 19:27:32 CEST 2014

On 5/8/14, 1:22 PM, elham tazikeh wrote:
> Dear gromacs users
> Can somebody tell me how to calculate the RMSD of the peptide conformation
> relative to the NMR structure?

g_rms with the NMR structure passed to -s.



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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