[gmx-users] ref_t and gen_temp

Justin Lemkul jalemkul at vt.edu
Fri Feb 28 16:27:30 CET 2014

On 2/28/14, 10:21 AM, Turgay Cakmak wrote:
> Hi all,
> I want to run some simulations at different temperatures (protein and
> solvent) changing the ref_t values. First at 300K, then 320K so on..
> So, my question is: "should I also change the gen_temp value while changing
> the ref_t value?"




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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