[gmx-users] How to manage carbohydrate connected to a protein

[Justin Lemkul]

On 6/23/16 10:15 AM, Stella Maganhi wrote:
> Hi Gromacs users!!!
>
> I would like to know how to run a protein covalently bonded to a
> carbohydrate in gromacs using CHARMM. The carb is covalently bonded to an
> aminoacid side chain.
>

Use the CHARMM-GUI web interface.  It will construct the entire system and 
topology for you.

-Justin

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

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