Anybody want to look at this?...dac
----- Forwarded message from Anselm Horn <Anselm.Horn.biochem.uni-erlangen.de> -----
Date: Fri, 13 Apr 2012 15:34:23 +0200
From: Anselm Horn <Anselm.Horn.biochem.uni-erlangen.de>
To: David A Case <case.biomaps.rutgers.edu>
Subject: Amber12 - Version string
Dear Prof. Case,
I recently downloaded the new Amber12 release and am very eager to try
out new features.
However, I noticed, that the version string of some Amber / AmberTools
modules still holds "11" instead of "12", e.g.:
ptraj/version.h
#define PTRAJ_VERSION_STRING "\"AMBER 11.0 integrated\" (4/2010)"
sander/multisander.F90
write(6, '(a)') ' Running multisander version of sander Amber11'
pmemd/src/master_setup.F90:
write(mdout, '(a, /)') '| PMEMD implementation of SANDER, Release 11'
Although I know, that you worked hard on the release of Amber12 and most
probably had to deal with lots of administrative stuff,
I kindly ask you to update the version information using a bugfix: for
the user it is easier to see which version of executable was used for
the respective calculation/computation.
Many thanks in advance!
Best regards,
Anselm Horn
Bioinformatik
Friedrich-Alexander-Universität Erlangen-Nürnberg
Germany
----- End forwarded message -----
--
================================================================
David A. Case | case.biomaps.rutgers.edu
BioMaPS Institute and Dept. of |
Chemistry & Chemical Biology | fax: +1-732-445-4320
Rutgers University | office: +1-848-445-5885
174 Frelinghuysen Road, Rm. 208b | cell: +1-609-651-6817
Piscataway, NJ 08854 USA | http://casegroup.rutgers.edu
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Received on Fri Apr 13 2012 - 07:00:06 PDT
