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: [email protected]; [email protected]
=========================================
--- El mar 12-abr-11, fancy2012 <[email protected]> escribió:
De: fancy2012 <[email protected]>
Asunto: [gmx-users] re: Acpype error
A: [email protected]
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-----
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
