[gmx-users] on rlist
jalemkul at vt.edu
Tue Apr 28 14:11:29 CEST 2015
On 4/27/15 10:06 PM, Brett wrote:
> Dear All,
> In the MD mdp file for the old version of on-line tutorials for lysozyme, in the neighbor search, there is an item "rlist", but in the MD mdp file for the new version of on-line tutorials for lysozyme, in the neighbor search, there is no item "rlist". Will you please tell me why?
> In addition, as "Verlet" has been selected, what is the meaning of "nstlist = 10 ; 20 fs, largely irrelevant with Verlet" ?
It's all explained if you read the manual:
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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