[gmx-users] Genion error

[felipe vasquez]

Hi,

I chose group 0 (System), but I also tried others like 1 (Protein) or 2
(Protein+H) with the same result.

Regards,

Andrés F.



*Andrés Felipe Vásquez J., MSc.*
Grupo de Fisiología Molecular
Subdirección de Investigación Científica y Tecnológica
Dirección de Investigación en Salud Pública
Instituto Nacional de Salud
Avenida calle 26 No. 51-20 - Zona 6 CAN
Bogotá, D.C., Colombia


2013/10/24 Justin Lemkul <jalemkul at vt.edu>

>
>
> On 10/24/13 9:34 AM, felipe vasquez wrote:
>
>> Hi,
>>
>> I have been trying to add ions to my system so as to make it neutral.
>> However, I always obtain the same result:
>>
>> Solvent Group size (950) is not multiple of 9.
>>
>>
> What group did you choose at the genion prompt?
>
>
>  The command I entered in this step was:
>>
>> genion -s protein_w.tpr -o protein_solv.gro -conc 0.15 -neutral -pname NA+
>> -nname CL-
>>
>>
> Depending on your Gromacs version, this command may not be right.  Ion
> names were changed as of version 4.5.
>
> -Justin
>
> --
> ==============================**====================
>
> 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 <jalemkul at outerbanks.umaryland.edu> | (410)
> 706-7441
>
> ==============================**====================
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users>
> * Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
> * Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
>