On Wed, Nov 14, 2012 at 7:31 AM, Giulia <giulia.palermo.iit.it> wrote:
> Dear all,
>
> I am running MMPBSA on a cluster that allows me to create submission job
> files that have a duration of only 6 hours.
> Unfortunately, after 6 hours my calculations are not finished and I am
> unable to obtain the results from an MMPBSA calculation.
> There is a way to save the intermediate files and to restart the
> calculation starting from these ??
>
No, this is not possible. Can you run in parallel to speed up the
calculation?
Good luck,
Jason
>
> Thank you very much
> Giulia Palermo
>
>
>
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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 Wed Nov 14 2012 - 05:30:04 PST
