[gmx-users] Hydrogen bonds
jalemkul at vt.edu
Wed May 28 16:12:34 CEST 2014
On 5/28/14, 12:59 AM, bharat gupta wrote:
> I want to find the interacting hydrogen bonding residues with the residue
> of my choice. I made an index for the residue for which I want to find the
> hydrogen bonds and I get the number of hydrogen bond it makes during the
> simulation. But how can I find the residue with which its making the
> hydrogen bonds.
Obtain the existence map and corresponding index file that labels which H-bond
is which using -hbn -hbm.
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
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