[AMBER] cpptraj clustering based on ligand cavity

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Mon, 30 May 2016 11:12:10 +1000

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
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Received on Sun May 29 2016 - 18:30:03 PDT
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