Hi,
I'm not sure I completely understand what you want to do, but if you
have an existing data set you would like to use for clustering you can
read it in with the 'readdata' command and cluster using that data via
the 'cluster' command and the 'data' keyword. See the manual for more
details.
Hope this helps,
-Dan
On Sun, May 29, 2016 at 7:12 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear List,
>
> I want have trajectory with ligand complexed to the protein. I have
> measured the volume of the cavity within 10A from the ligand. I want now
> perform clustering based on the distance 10A from the ligand present in the
> trajectory.
>
> How can I achieve this?
>
> I have so far loaded the trajectory, removed ions, water etc. Done
> autoimage.
>
> Awaiting your feedback.
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Vice Chancellor's Research Fellow,
> Queensland University of Technology,
> 2 George Street, Brisbane, QLD 4000
> Australia
> LinkedIn
> Research Gate
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue May 31 2016 - 08:30:02 PDT
