[AMBER] rdf or watershell

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Wed, 1 Jun 2016 11:31:54 +1000

Hi List,

I want to calculate number of water molecules within 7 A from the ligand in
the cavity and monitor the water occupancy from the trajectory. Should I
use radial function or watershell should be sufficient for the analyses?

Regards,
Neha 

-- 
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 Tue May 31 2016 - 19:00:03 PDT
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