[gmx-users] g_select problem
jalemkul at vt.edu
Wed Aug 21 17:06:01 CEST 2013
On 8/21/13 11:02 AM, Albert wrote:
> but actually the water name in my system IS "T3P" and the atom name in the water
> model is "O". I've double checked for this.
Your selection, as Teemu says, is calling for *atoms* named T3P that are also
*atoms* named O, which is clearly impossible. The *residue* name is T3P.
> On 08/21/2013 04:59 PM, Teemu Murtola wrote:
>> If that is really your selection, you are trying to select atoms that have
>> both name T3P and O, which is clearly impossible, so nothing gets selected.
>> Best regards,
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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