[gmx-users] Fwd: Regarding selecting of groups

[Justin Lemkul]

On 8/9/16 2:39 AM, Laxman Kumar wrote:
> Subject: Regarding selecting of group
> Dear sir/mam
> I need some suggestions regarding selecting of groups automatically during
> gmx_genion run.
> I have tried using commands in scripts too .
> Kindly request you to give some suggestions.

What have you tried?  What isn't working?  Everything you need to know is at 
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts

-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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