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

[ms]

Awesome, thanks! and kudos for your work :)

On 26/06/12 16:54, Christoph Junghans wrote:
> 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
>> --
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>
>
>


-- 
Massimo Sandal, Ph.D.
http://devicerandom.org