[gmx-developers] Adaptive Resolution Scheme (AdResS) in Gromacs 4.6

[Christoph Junghans]

Hi Massimo,

2012/6/26 ms <devicerandom at gmail.com>:
> Hi,
>
> I have read ( www.compphys.de/publications/2012a.pdf ) that an AdResS
> implementation should be available in gmx-4.6. I would like to ask:
>
> 1) Is the implementation as described in the paper already functional in the
> current gmx 4.6 ? Is it usable at least for testing and learning it
Yes, the implementation is usable, but you will have to use the 4-6
branch from the git repository:
$ git clone git://git.gromacs.org/gromacs.git
$ cd gromacs
$ git checkout --track -b release-4-6 rigin/release-4-6
or use the tarball from:
<http://jenkins.gromacs.org/view/Nightly%204.6/job/Gromacs_Nightly_4_6/lastSuccessfulBuild/artifact/Gromacs-4.6-dev-Linux.tar.gz>

> 2) Is there any documentation about how to use it in practice? I googled but
> found little...
Documentation can be found in section 6.11 of the 4.6 manual:
<http://jenkins.gromacs.org/view/Nightly%20Docu/job/Manual_Nightly_4_6/lastSuccessfulBuild/artifact/build/gromacs.pdf>

Cheers,

Christoph

>
> Thanks a lot,
> Massimo
>
>
> --
> Massimo Sandal, Ph.D.
> http://devicerandom.org
> --
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-developers-request at gromacs.org.



-- 
Christoph Junghans
Web: http://www.compphys.de