AMBER: MM_PBSA snapshot statistic calc problem

From: Hannes Wallnoefer <Hannes.Wallnoefer.uibk.ac.at>
Date: Tue, 5 Aug 2008 14:45:48 +0200

Hi amber-users,

I have a problem with the MM_PBSA tool in amber. To be sure that it is not
related to my system i downloaded the snapshots and the input files of the
tutorial A3: MM_PBSA.
When i perform the MM_PBSA calculation everything seems to be fine, but in the
end the error: No data for 0+0 PB ELRAELE 0 appears and there is no
snapshots_statistics.out file. In the log-file the
mesage: WARNING: Missing PBNONPOL for PB in 0 -> Taken from -1
WARNING: Missing ELRAELE for PB in 0 -> Taken from -1
WARNING: Missing EPB for PB in 0 -> Taken from -1
is found for every snapshot. I attached the log-file and the out-files with all
of the calculated values.
Can anybody assist me with this problem?

Greetings
Hannes


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Received on Wed Aug 06 2008 - 06:07:36 PDT
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