No. You will have to restart the calculation from the beginning.
However, a recent bug fix has changed it so that "restrt" is no longer
created (_MMPBSA_.restrt or _MMPBSA_.restrt.#, where # is 0 to nproc - 1 for
parallel runs). You should apply those if you're running MMPBSA.py. You
can find them, and instructions for applying them, here:
http://ambermd.org/tutorials/advanced/tutorial3/py_script/mmpbsa_patches.html.
Good luck!
Jason
On Sat, Nov 13, 2010 at 10:17 PM, Alice Wang <compu.chem.w.gmail.com> wrote:
> Dear Amber,
>
> The mmpbsa calculation were stoped, and the restrt file were found in that
> dir. Can it be restarted?
>
> Thanks!
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sat Nov 13 2010 - 22:30:03 PST
