On 12/3/13 10:23 AM, MUSYOKA THOMMAS wrote:
Dear Users,

I am using a cluster of 64 cores to perform my MD simulations using GROMACS
version 4.5.5.

I would be glad to know the exact mdrun command that will allow me use the
available resources.

The answer depends entirely on the architecture of the cluster. Your sys admin should know.



Justin A. Lemkul, Ph.D.
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

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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