[gmx-users] carbon nanotube - ifnite in length ?

Justin Lemkul jalemkul at vt.edu
Thu Oct 10 16:02:34 CEST 2013

On 10/10/13 10:01 AM, Steven Neumann wrote:
> Thanks a lot. I will use position restraints then with a strong force
> constant, no bonds and place the edge atoms within half of distance between
> them from the box edge. Is that correct?

Seems reasonable.  One way to find out...



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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