Can you add "debug_printlevel=2" to the &general section of your MMPBSA
input file and retry it? That will provide a full traceback so I can see
where the error is really occurring.
Thanks!
Jason
On Wed, Apr 11, 2012 at 5:24 PM, Kumar, Sonu
<sonu.kumar.dkfz-heidelberg.de>wrote:
> Hi All,
>
> I am using MMPBSA.py module of AmberTool12 which is on my institute
> cluster for energy calculation, but getting an error?
>
> Here is my input file:
> mmpbsa.in
> Input file for running PB and GB in serial
> &general
> endframe=50, keep_files=2,
> /
> &gb
> igb=2, saltcon=0.100,
> /
> &pb
> istrng=0.100,
> /
>
> /usr/local/AmberTools/bin/MMPBSA.py -O -i mmpbsa.in -o
> FINAL_RESULTS_MMPBSA.dat -sp complex_solvated.prmtop -cp complex.prmtop -rp
> rec.prmtop -lp lig.prmtop -y *.crdbox
>
> Error which I am getting after running above command:
>
> Reading command-line arguments and input files...
> Loading and checking parameter files for compatibility...
> mmpbsa_py_energy found! Using mmpbsa_py_energy
> cpptraj found! Using cpptraj
> Preparing trajectories for simulation...
> OSError: [Errno 2] No such file or directory
> Exiting. All files have been retained.
>
>
> It would be great if someone help me in this..
>
> Thanks
> Sonu
>
> ----------------
> Sonu Kumar, M.Sc
>
>
>
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> 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
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Received on Thu Apr 12 2012 - 06:00:07 PDT
