Ok, done for PMEMD as well.
commit 1c962a58b7c6608b08b31d53f08db663f2a8a016
Author: Ross Walker <rcw.sdsc.edu>
Date: Fri Apr 13 12:53:36 2012 -0700
RCW: Fix AMBER 11 -> AMBER 12 in PMEMD - Needs a patch to be made
against the released versions.
> -----Original Message-----
> From: Daniel Roe [mailto:daniel.r.roe.gmail.com]
> Sent: Friday, April 13, 2012 11:36 AM
> To: AMBER Developers Mailing List
> Subject: Re: [AMBER-Developers] [Anselm.Horn.biochem.uni-erlangen.de:
> Amber12 - Version string]
>
> 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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> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
> > _______________________________________________
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>
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Received on Fri Apr 13 2012 - 13:00:04 PDT
