[gmx-users] ligand covalently bond with the protein

Justin Lemkul jalemkul at vt.edu
Tue Dec 10 14:46:30 CET 2013


On Tue, Dec 10, 2013 at 7:54 AM, aixintiankong <aixintiankong at 126.com>wrote:

> Dear ,
>     I want to bulid a system that the ligand covalently bond with the
> protein, could anyone tell how to do this one by one step or give me a
> tutorial to do this. thank you very much !
>

http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field

-Justin

-- 

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Justin A. Lemkul, Ph.D.
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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