[AMBER] Dynamic selection of donor and acceptor mask for hbond analysis

From: DEBOSTUTI GHOSHDASTIDAR <debostutighosh.gmail.com>
Date: Fri, 15 Aug 2014 15:41:22 +0530

Dear Amber users,

I was wondering if we could perform a hydrogen bond analyses on a dynamic
selection of donor and acceptor molecules (e.g, hydrogen bonding between
water in the hydration shell of a protein). I tried using the distance
based mask selection available in cpptraj of AmberTools14 but it seems all
the water in the system get selected and not just the hydration shell water.

Thanks 

-- 
Debostuti
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Received on Fri Aug 15 2014 - 03:30:02 PDT
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