[gmx-users] what is sigma in gromacs? the radius of a sphere or the diameter of a sphere?
jalemkul at vt.edu
Thu Aug 15 14:04:10 CEST 2013
On 8/15/13 7:59 AM, grita wrote:
> can someone tell me exactly what the \sigma in the LJ-potential in Gromacs
> Is \sigma the radius of a sphere or the diameter of a sphere?
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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