You need Amber (sander) to do decomp analysis. If you want to do decomp
with AmberTools 12 but use sander from Amber 11, you need to put
"search_path=1" in the &general section of your input file.
Can you try this?
On Mon, Apr 30, 2012 at 9:13 PM, manikanthan bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> Jason,
>
> I have added the debug_printlevel=2 to the general section. It is
> showing the following error:
>
> Reading command-line arguments and input files...
> Loading and checking parameter files for compatibility...
> sander found! Using sander
> mmpbsa_py_energy found! Using
> /home/srg/mhb75/Download/amber12/bin/mmpbsa_py_energy
> cpptraj found! Using /home/srg/mhb75/Download/amber12/bin/cpptraj
> Preparing trajectories for simulation...
> 50 frames were processed by cpptraj for use in calculation.
>
> Beginning GB calculations with None
> File "/home/srg/mhb75/Download/amber12/bin/MMPBSA.py", line 565, in ?
> external_progs, '_MMPBSA_', normal_system)
> File "/home/srg/mhb75/Download/amber12/bin/MMPBSA_mods/calculation.py",
> line 91, in run_calculations
> if 'mmpbsa_py_energy' in progs['gb']: incrd = '%scomplex.pdb' % prefix
> TypeError: iterable argument required
>
Exiting. All files have been retained.
>
> Is the python 2.4 version on my computer having issues with amber12tools?
>
> mani
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 01 2012 - 09:00:03 PDT
