[gmx-users] h_bonds

Justin Lemkul jalemkul at vt.edu
Fri Mar 14 00:35:05 CET 2014

On 3/13/14, 6:28 PM, virk wrote:
> Dear People,
> I am trying to calculate percentage of dimers and trimers. Hoe can I use
> h_bond option to calculate this?
> One way I thought was to calculate the number of hbonds in 0.35 nm and pairs
> in that distance. Subtract this by total number. It will give monomers and
> dimers, But what about trimers and others.
> Is there any other way to calculate this?

Dimers and trimers of what?



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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