Hi Brian,
I think you are right ... Its a confusion in the manual where is written
"parmout" which I actually knew about but forgot.
Best
Vlad
On 10/24/2013 05:06 PM, Brian Radak wrote:
> Hi Vlad,
>
> Disclaimer: I'm a parmed user, not a developer.
>
> Isn't the command "outparm" not "parmout"? Or is that synonymous syntax?
>
> Regards,
> Brian
>
>
> On Thu, Oct 24, 2013 at 10:55 AM, Vlad Cojocaru <
> vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>
>> 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
>> Vlad
>>
>> --- 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
>> http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
--
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
http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
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Received on Thu Oct 24 2013 - 08:30:03 PDT
