[gmx-users] h_bonds

Justin Lemkul jalemkul at vt.edu
Fri Mar 14 02:30:13 CET 2014

On 3/13/14, 7:57 PM, virk wrote:
> Dimers and trimers of aminoacids (glycine)

Your objective is still ill-defined.  I could think of a large number of ways 
that a glycine dimer or trimer might form depending on one's definition of a 
dimer or trimer, involving different hydrogen bonding geometries, or no hydrogen 
bonds at all.  I doubt g_hbond will do everything you need.  Consult the manual 
for other potentially useful tools - measuring distances, contacts, etc. could 
be useful.



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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