[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.


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