[gmx-users] Heating step by step.

[Justin Lemkul]

On 9/4/15 1:04 PM, Dawid das wrote:
> Dear Gromacs Experts,
>
> Is it possible to do following heating of my system:
> increase reference temperature by 20 K every 5 ps of simulation in one run
> until I reach 300 K?
>

http://manual.gromacs.org/online/mdp_opt.html#sa

-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 629
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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