Hi Jason,
Thank you very much for your reply.
Please find the attached file. This file contains all _MMPBSA_*_pb.mdout
files. Feel free to contact me if you need any further information from my
side.
Thanks again
Sudipta
On Mon, Jul 23, 2012 at 2:32 PM, Jason Swails <jason.swails.gmail.com>wrote:
> 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
> >
> > _______________________________________________
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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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>
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Received on Mon Jul 23 2012 - 15:00:03 PDT
