On 8/15/13 7:59 AM, grita wrote:
Hi,
can someone tell me exactly what the \sigma in the LJ-potential in Gromacs
is?
Is \sigma the radius of a sphere or the diameter of a sphere?
Neither.
http://en.wikipedia.org/wiki/Lennard-Jones_potential
-Justin
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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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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