[gmx-users] re: Acpype error

Aldo Segura asegurac666 at yahoo.com.mx
Tue Apr 12 16:29:08 CEST 2011

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

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.



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.mxaldosegura 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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