[gmx-users] simultaneous runs

Justin Lemkul 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
> simultaneously?

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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