[gmx-users] g_select problem

Justin Lemkul 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.


> thx
> Albert
> 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,
>> Teemu


Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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