Re: [AMBER-Developers] [Anselm.Horn.biochem.uni-erlangen.de: Amber12 - Version string]

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 13 Apr 2012 10:47:01 -0400

I thought I had done this -- at least for the multisander part, but maybe it was just pmemd...

Do you think it is worth rolling into other bug fixes? Dan has one ready to go for AmberTools and I will have one for Amber shortly... We need at least 2 bugfixes anyway -- one for the Amber part and one for the AmberTools part.

All the best,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Apr 13, 2012, at 9:49 AM, David A Case <case.biomaps.rutgers.edu> wrote:
> 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
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> 174 Frelinghuysen Road, Rm. 208b  |    cell:     +1-609-651-6817
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Received on Fri Apr 13 2012 - 08:00:07 PDT