[gmx-users] one initial configuration on two different system

[Justin Lemkul]

On 4/20/14, 2:24 PM, Mahboobeh Eslami wrote:
> hi GMX users
> i have simulated one initial configuration on two different  system under the same conditions but the results are very different.
> is this issue reasonable?
>

Yes.

http://www.gromacs.org/Documentation/Terminology/Reproducibility

-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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