[gmx-users] CNT ROTATION

Justin Lemkul jalemkul at vt.edu
Wed May 28 01:26:19 CEST 2014

On 5/27/14, 11:25 AM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
> Hi Dr Vitaly ,
> First 3nm it is not half of any side, i used the external amino acids from
> the channel as a reference gruop, and 3nm is the distance from the SWCNT
> tip's to the channel, but 6nm from the COM, my box has 19 nm in Z axis,

 From what you describe, it sounds simply like the pulling force causes the CNT 
to interact unfavorably with the protein, such that the biasing force cannot 
actually move the CNT along the desired axis, instead dissipating the force in 
some bizarre ways.



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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