[gmx-users] protein-ligand complex
jalemkul at vt.edu
Fri Jan 17 16:00:55 CET 2014
On 1/17/14, 9:54 AM, Mahboobeh Eslami wrote:
> dear justin
> thanks a lot
> if i use flexible receptor in docking process, must i change the coordinates
> of the protein as initial configuration in the MD simulation?
No, that doesn't make any sense and only serves to add another variable into an
already unclear situation.
Justin A. Lemkul, Ph.D.
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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