On Thu, Sep 27, 2012 at 6:32 AM, DEBOSTUTI GHOSHDASTIDAR <
debostutighosh.gmail.com> wrote:
> Dear all
>
> I am using MMPBSA for calculating DNA-sodium ions binding interactions.
> During PB calculations, the job ends with an error during ligand
> calculations, whereas complex and receptor calculations go on fine. The
> error message says: "Error:mmpbsa-py-energy error during PB calculations. "
> Doesnt say anything specific.
>
> Could someone help out with this?
>
Please update your Amber installation. In particular, bugfix.24 for
AmberTools 12 will provide a specific error message for PB failures.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Sep 27 2012 - 05:00:04 PDT
