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