[gmx-users] Fw: NVT equilibration

[Justin Lemkul]

On 1/12/14, 10:22 AM, kiana moghaddam wrote:
> Dear Justin
>
>
>
> I absolutely know that this equilibration and heating are suitable for my system, but I want to sure whether the other parameters for example ref_t =300 is correct or not. Maybe it is true that 100ps run is very very faster than your email, but reliable answer is more important than lag time.
>

ref_t is irrelevant during annealing.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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