[gmx-users] Help calculation on cluster

[Justin Lemkul]

On 12/18/15 2:40 PM, Mishelle Oña wrote:
> Hi,
> I am doing some simulations in a cluster. I want to know if there is an option to run the simulation in order that I can close the terminal?. I tried to make  sbatch but the problem is that when I entered the command there is a step to choose the system and with sbatch I could not choose this option.

http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts

For specific usage of your cluster, talk to your sysadmin.

-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 629
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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