Can you put "debug_printlevel=2" in the &general section of the input file?
This is only valid in AmberTools 12, but that toggles the printing of
verbose tracebacks that help diagnose these problems.
Thanks!
Jason
On Mon, Apr 30, 2012 at 7:09 PM, manikanthan bhavaraju <mhb75.msstate.edu>wrote:
> Jason,
> The "/" was there in the input file. When I pasted the input file in
> the mail probably it was missing. I have installed amber12 tools
> serial version and am running same input file to calculate gbsa and
> per residue this time. But still I am getting the same 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
> TypeError: iterable argument required
> Exiting. All files have been retained.
>
> I am using the input line
> $AMBERHOME/bin/MMPBSA.py -O -i mmpbsa.in -o gbsa.dat -do decomp.dat
> -sp solvated.prmtop -cp complex.prmtop -rp rec.prmtop -lp lig.prmtop
> -y *.mdcrd
>
> If I am eliminating &gb part from the input file the job is getting
> crashed. How can I get the traceback file in order to solve the
> problem?
>
> Thanks,
> mani
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Apr 30 2012 - 17:30:03 PDT
