[gmx-users] Residues in rtp file
jalemkul at vt.edu
Mon Jul 21 15:09:42 CEST 2014
On 7/21/14, 8:17 AM, Dibyajyoti wrote:
> Dear all,
> Can you please mention where I can get the naming conventions for gromos53a6
> residue types?
> Specially I want to know about what residues with a * mean, like below NADPH
> reidues in aminoacids.rtp file. Thanks a lot for the revert.
> NO5* OA -0.36000 1
> AC5* CH2 0.00000 2
> AC4* CH1 0.16000 3
> AO4* OA -0.36000 3
> AC1* CH1 0.20000 3
These aren't residues, they're atoms, specifically sugar atoms using * notation
instead of '. The prefixes N and A indicate nicotinamide and adenine
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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