[gmx-users] glycosylated protein simulation

Justin Lemkul jalemkul at vt.edu
Sat Apr 5 23:48:27 CEST 2014


Please don't reply to the whole digest.  Start a new thread for a new topic, 
with a sensible subject.

On 4/5/14, 3:10 PM, marzieh dehghan wrote:
> Hi every body
>
> after glycation insulin by autodock, I wan to run it by GROMACS.
>
>   I would like to know is it possible and correct?
>

Gromacs can simulate anything for which you provide adequate force field 
parameters.  Doing so is not always straightforward.

-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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