[gmx-users] g_select problem

[Justin Lemkul]

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.

-Justin

> 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
>

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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