[gmx-users] simultaneous runs
jalemkul at vt.edu
Sun Apr 5 15:22:21 CEST 2015
On 4/5/15 1:10 AM, mah maz wrote:
> Dear all,
> I performed 2 runs one after the other. Then, I performed those 2 runs
> simultaneously(no special commands were applied, I just used different
> terminals with mdrun -v command) but in different directories. Results
> (like msd and energies) were expected to be nearly the same. but they are
> completely different. Does it mean that we cant perform several runs
Independent runs have no effect on each other. All you're seeing is the random
nature of MD.
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
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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