[gmx-developers] Project Ideas

[Szilárd Páll]

On Sat, Jan 4, 2014 at 12:46 AM, Christoph Junghans <junghans at votca.org> wrote:
> 2014/1/3 sai hemanth <svshemanth at gmail.com>:
>> Hi all,
>> I am new to Gromacs and am planning to do my Masters project on Gromacs. I
>> have two projects in mind:
>> 1.Clustering methods
> What kind of clustering methods?
> There is already the Spectral Clustering Toolkit
> (https://github.com/douradopalmares/mdsctk) and
> the Locally-Scaled Diffusion Maps Toolkit
> (http://sourceforge.net/projects/lsdmap/) to cluster states.

I guess he was referring to this:
http://www.gromacs.org/Project_ideas#Implement_new_clustering_methods.2c_perhaps_on_GPUs

Perhaps those who proposed the project are not aware of these tools?
I'll drop them a mail to ask.

>> 2.Implementing MIC support
>> Is anyone working on these topics?
> Work in progress: <http://bugzilla.gromacs.org/issues/1187>
>
>> The problem is that I am new to Gromacs and do not personally know any
>> expert. So it will be of great help if someone establishes a problem for me.
>> I can then go ahead and solve it.
> Have a look at <http://redmine.gromacs.org/projects/gromacs/issues>
> and find an issue you like to work on.

That's not a bad starting point, but finding a thesis-worthy project
on redmine may not be the easiest thing - especially that detailed
feature-issues are rare in the database.


Sai, I suggest that you should either further for projects and keep
asking or if you give us a bit more introduction on your background
and interests, we may be able to suggest projects for you.

Cheers,
--
Szilárd

> Cheers,
>
> Christoph
>
>> Thanks and all the best
>> --
>> with regards,
>> Sai Hemanth S V,
>> Masters Student,
>> Dept. of Math And Comp.Sci.(DMACS),
>> SSSIHL.
>>
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>
> --
> Christoph Junghans
> Web: http://www.compphys.de
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