Interesting, can you forward your input and data files to us, OFF the
mailing list?
All the best,
Ray
On Tue, Jun 19, 2012 at 3:37 PM, Xiao Ba <bbxiao1.gmail.com> wrote:
> Hi all,
>
> I am trying to run pymdpbsa for one of my trials, but pbsa hits an error
> saying "PB Bomb in epsmap(): epsy out of range". 4 of my 5 trials have no
> problem, just the fifth. The only thing that is different across trials is
> the trajectory. I have attached the pbsa output file and the error is at
> the end.
>
> I am running AmberTools12 and am up-to-date with patches.
>
> Thanks,
> Xiao
>
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Received on Tue Jun 19 2012 - 15:00:02 PDT
