I have just entered a patch (AmberTools bugfix.2), part of which
updates the ptraj Version string to 12.0.
-Dan
On Fri, Apr 13, 2012 at 10:47 AM, Jason Swails <jason.swails.gmail.com> wrote:
> 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
>> 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 - 12:00:02 PDT
