[AMBER] parmed.py bug when using the "parmout" command ?

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Thu, 24 Oct 2013 16:55:12 +0200

Dear all,

I am trying to use parmed.py (AmberTools 13) to manipulate my toplogy files.

However, whenever I have "parmout" in my input file to parmed.py, I get
the following error:
AttributeError: 'ArgumentList' object has no attribute 'has_key'

I did a number of tests and I am sure that the error comes upon using
the parmout command.

For example, one test I did with the script below. If add printDetails
command before and after strip, it is clear that the strip command works
but not parmout.
The same error happens if I remove "strip" ..

Has anybody seen this behavior or am I missing something in the way
"parmed.py" works ?

Thanks for any advice

--- test input for parmed.py -----------
parm model_water.top
strip ":WAT"
parmout model.top

Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Thu Oct 24 2013 - 08:00:05 PDT
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