[gmx-users] re: Acpype error
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.
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.
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?
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