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