[AMBER] PB Bomb in epsmap(): epsy out of range

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From: Xiao Ba <bbxiao1.gmail.com>
Date: Tue, 19 Jun 2012 15:37:12 -0600

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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application/octet-stream attachment: pbsasfe.out

Received on Tue Jun 19 2012 - 15:00:01 PDT