[gmx-users] g_select

Justin Lemkul jalemkul at vt.edu
Sun Jul 20 05:54:46 CEST 2014

On 7/19/14, 11:09 AM, Shima Arasteh wrote:
> Hi Justin,
>   I want to use g_select to select the carbons of  top and bottom leaflets of the
>   bilayer seperately.
>   The selection.dat contains:
>   same residue as (name P8 and z>=3.2)
>   But the g_select generated an index file of the all
>   lipid molecules.
>   Would you please give any suggestions in this about?

Your syntax only selects residues, so this is to be expected.  Something more 
along the lines of:

lipids = same residue as (name P8 and z >= 3.2);
lipidC = name C* and lipids;

should probably be more along the lines of what you want.  I haven't tested 
that, but it's probably pretty close.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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