VMD-L Mailing List

From: Sourav Ray (souravray90_at_gmail.com)
Date: Sat Jul 02 2016 - 09:45:25 CDT

Thanks to both of you. I will look into them.

On Sat, Jul 2, 2016 at 12:10 AM, Chitrak Gupta <chgupta_at_mix.wvu.edu> wrote:

> Hi Sourav,
>
> I use LOOS for performing k-means clustering of MD simulation
> trajectories. In fact, LOOS has a lot of other really nice tools too, feel
> free to check it out.
>
> http://loos.sourceforge.net/
>
>
> It is maintained by the group of Alan Grossfield at University of
> Rochester. You will find the building/installation instructions in the
> above link. Feel free to let me know if you have further questions, I have
> been using it for quite some time now.
>
>
> Regards,
> Chitrak.
>
> On Thu, Jun 30, 2016 at 8:54 AM, Sourav Ray <souravray90_at_gmail.com> wrote:
>
>> Hello
>>
>> Can someone send me a link or some info for implementing k-means
>> clustering on multiple frames with a PDB trajectory file as input? Would
>> prefer implementation in C or C++ but other also welcome.
>>
>> Regards
>> Sourav
>>
>
>