[AMBER] calculation of cavity water

From: Tousif Hossen <tousif.hossen.iitg.ernet.in>
Date: Fri, 4 May 2018 16:41:33 +0530

Hi AMBER community,
                  Currently I am working on host-guest system with
beta-cyclodextrin. I want to calculate the number of
water molecules inside cavity in presence of guest and
also in absence. However, I am not getting any idea how
to calculate this? please help me and suggest some idea.
Thank you in advance. 

-- 
Tousif Hossen
Research Scholar
Department of Chemistry
IIT GUWAHATI
INDIA
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Received on Fri May 04 2018 - 04:30:03 PDT
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