Re: [AMBER] Difference between serial and parallel MMPBSA

From: Osman, Roman <roman.osman.mssm.edu>
Date: Thu, 22 Sep 2011 20:07:26 +0000

Mengjuei,
I can confirm that installing the bugfixes through 16 cures the problems that I had reported earlier. We can reproduce your results.
Thanks very much for your help.
Rami

On Sep 22, 2011, at 3:58 PM, Mengjuei Hsieh wrote:

Folks,

Here is the update of this issue on parallel MMPBSA.py, this has been
confirmed in outdated versions of Amber11 and appeared to be solved in
an updated Amber11.

I will recommend that if you encountered this problem, please update
your Amber11 up to bug fix number 16.

Thanks.

--
Mengjuei
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Roman Osman
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Mount Sinai School of Medicine
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Received on Thu Sep 22 2011 - 13:30:03 PDT