With attachment (I hope).
From: Thorsten M Woelfle <twoelfle.sdsc.edu>
Date: July 29, 2010 10:34:11 PM GMT+02:00
To: AMBER Mailing List Developers <amber-developers.ambermd.org>
Subject: mm_pbsa fix
Hi mm_pbsa developers,
I am posting this for a guy from my home university, asking if
you are aware of that bug and have an alternative workaround.
If it is alright, I am going to push it to git. Just
want to make sure that this is not fixed redundant.
All the best
Thorsten
>Dear all,
>
>I'm not sure if the Amber developers accept patches on this list
>or not (as there were no comments at all to the fixes I suggested
>several days ago).
>
>Please find attached a cumulative patch for two crucial bugs in the
>parallel (threaded) version of mm_pbsa and an additional usability
>fix concerning the parsing of the mm_pbsa input file.
>
>Details on the two crucial bugs can also be found in
>http://archive.ambermd.org/201007/0494.html
>http://archive.ambermd.org/201007/0501.html
>The usabulity fix removes leading spaces from the input file.
>
>
>Best regards,
>
>thomas
>--
>Dr.-Ing. Thomas Zeiser, HPC Services
>Friedrich-Alexander-Universitaet Erlangen-Nuernberg
>Regionales Rechenzentrum Erlangen (RRZE)
>Martensstrasse 1, 91058 Erlangen, Germany
>http://www.rrze.uni-erlangen.de/hpc/
>
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Received on Thu Jul 29 2010 - 19:00:04 PDT
