[AMBER] watershell / number of waters and which waters?

From: leila karami <karami.leila1.gmail.com>
Date: Sun, 26 Dec 2010 17:31:07 +0330

Dear amber users

I read in manual watershell count the number of waters within a certain
distance of the atoms in
the mask in order to represent the first and second solvation shells.

I want to know in addition to number of waters can I obtain which water
molecules are placed
in the first and second solvation shells within a certain distance.

any help will highly appreciated.

Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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Received on Sun Dec 26 2010 - 06:30:03 PST
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