[gmx-users] how to set number of exchange attempts in replica exchange simulation
jalemkul at vt.edu
Thu Jun 26 13:51:57 CEST 2014
On 6/26/14, 4:50 AM, #ZHANG HAIPING# wrote:
> Dear gromacs user:
> I recently viewed a paper which says the number of exchange attempts should be chosen to significantly exceed the transit number for for the replica-exchange scheme. But I don't know where to set the number of exchange attempts in replica exchange simulation. Can anyone help, thanks.
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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