Hi Sudipta,
This error message means that the PB energy calculation failed, which is
actually an error within PBSA. It would be more helpful to include the
_MMPBSA_*_pb.mdout files, since any error messages may be hidden inside
there.
All the best,
Jason
On Mon, Jul 23, 2012 at 4:03 PM, sudipta <sudipta.mml.gmail.com> wrote:
> Hi Jason and Amber users,
>
> I have been facing a strange problem with PB calculation for a protein-DNA
> system from the last week. The error looks like
>
> /home/sudipta/Downloads/amber12/bin/mmpbsa_py_energy failed with prmtop
>
> The script, MMPBSA.py.MPI has finished GB calculation for my system without
> any error. Moreover, the tutorial files finish without any error. Please
> find the attached two final output files of those two calculations. It
> really puzzles me why PB calculation is not finishing properly for my
> system. I don't get any fruitful error message except the above one. By the
> way, I am using only AmberTools12 and the OS is Ubuntu 10.4.
>
> Looking forward to hear from you soon.
>
> Thanks in advance
> Sudipta
>
> _______________________________________________
> 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 Mon Jul 23 2012 - 15:00:03 PDT
