[gmx-users] REg MD results

Justin Lemkul jalemkul at vt.edu
Sat Jan 7 21:14:11 CET 2017

On 1/7/17 5:14 AM, Parul Raj Srivastava wrote:
> I have given an MD run for a quaternary protein structure by taking 2
> chains at a time for the MD run.The rmsf graph so obtained is showing
> erratic behaviour,please find attached graph.Is this result justified or
> incorrect??

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Often it is just easier to create index groups for each chain and analyze them 
separately.  This eliminates most confusion associated with residue-specific 
analyses like RMSF.



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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


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