[gmx-users] Re: Select atoms in a residue

Justin Lemkul jalemkul at vt.edu
Tue Sep 3 17:40:00 CEST 2013

On 9/3/13 11:36 AM, ABEL Stephane 175950 wrote:
> Hello Justin,
> My question was  "How to select the following atoms CG, CD1, HD1, CD2, CE3, HE3, CZ3, HZ3, CH2, etc.. present "ONLY" in the trp residue with a single line command with make_ndx. Indeed some of them can be also present in other residues.

r TRP & a CG | a CD1 | ...



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

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


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