[gmx-users] how to set number of exchange attempts in replica exchange simulation

[Justin Lemkul]

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.
>

mdrun -replex

-Justin

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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
http://mackerell.umaryland.edu/~jalemkul

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