Re: [AMBER] PBSA fails with error message PB Bomb in epsmap(): epsz out of range

From: Ray Luo <rluo.uci.edu> Date: Tue, 15 Mar 2016 15:16:48 -0700

--
Ray Luo, Ph.D.
Professor
Biochemistry, Molecular Biophysics, Chemical Physics,
Chemical and Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Tue, Mar 15, 2016 at 2:55 PM, Bruno Falcone
<brunofalcone.qo.fcen.uba.ar> wrote:
> Hi, I'm currently performing PBSA calculations using AmberTools 15 and
> MMPBSA.py.
>
> I'm getting recurrent error messages with the following line (with
> varying final numbers):
>
> PB Bomb in epsmap(): epsz out of range       130        85        87
>
> It appears that the error occurs when running jobs in parallel (that is,
> many independent single-job pbsa calculations on the same machine),
> although I couldn't confirm this 100%.
>
> I saw that this message was posted before to the forums, but it didn't
> offer a solution, that's why I'm posting it again.
> http://archive.ambermd.org/201206/0471.html
>
> Please let me know if there's a solution to this problem. I'm happy to
> share the output files if necessary.
>
> Thanks in advance!
> Bruno
>
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