[gmx-users] re: Acpype error

[Lucio Ricardo Montero Valenzuela]

You should check also that you use for acpype a python installation
under which the openbabel is installed.
Lucio Montero
Instituto de Biotecnología, UNAM.
-------------------------------------------------------

El mar, 12-04-2011 a las 07:29 -0700, Aldo Segura escribió:
> First of all, I don't know if this is the right forum to
> discuss issues related to acpype. You should try to contact the
> acpype team.
> 
> I'm not an acpype expert but if I can help you, do not
> hesitate to contact me through my email.
> 
> 
> Some tips:
> 
> 
> Considering that python, openbabel and Ambertools are properly
> installed and if the test shows an error, then something is wrong with
> the installation. How do you download the program?
> 
> By: "svn" or "wget "
> 
> if you want I can send you a copy that I use and works well, so you
> can try to install it.
> 
> 
> Regards,
> 
>  
> 
> Aldo
> 
> 
> =======================================
> Aldo Segura-Cabrera
> Laboratorio de Bioinformática
> Centro de Biotecnología Genómica
> Instituto Politécnico Nacional
> Blvd. Del Maestro esquina Elías Piña, 88710
> Reynosa, Tamaulipas, México.
> (899)9243627 ext. 87747
> e-mail: asegurac at ipn.mx; aldosegura at gmail.com
> =========================================
> 
> 
> 
> 
> --- El mar 12-abr-11, fancy2012 <fancy2012 at yeah.net> escribió:
>         
>         De: fancy2012 <fancy2012 at yeah.net>
>         Asunto: [gmx-users] re: Acpype error
>         A: gmx-users at gromacs.org
>         Fecha: martes, 12 de abril de 2011, 0:57
>         
>         Dear Prof. Aldo Segura-Cabrera,
>         Thanks very much for your reply. I just download the package
>         of Acpype, and I ran ../acpype.py -i FFF.pdb to test
>         acpype.py, but then I got the error. Amber11 and AmberTools
>         1.4 have been successfully installed on the computer. I have
>         read the installation instruction, I find it is only creating
>         a linker of acpype.py, I do not know how AmberTools works with
>         acpype.py, I will go through it. Thanks very much for your
>         suggestion, and still could you please help me with this
>         error?
>         
>         Best wishes,
>         Qinghua Liao
>         
>         
>         
>         -----Sigue archivo adjunto-----
>         
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