[gmx-users] Residues in rtp file

[Justin Lemkul]

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 
nucleotides, respectively.

-Justin

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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