Re: [AMBER] meaning of columns in hbond output

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 12 Sep 2012 18:05:31 -0600

Hi,

On Wed, Sep 12, 2012 at 3:44 PM, Yubo Fan <pengpengtadie.gmail.com> wrote:
> 7 9 13 1 17329,
>
> What is the meaning of each columns?

In order: # of solute-solute hbonds, # solute donor - solvent acceptor
hbonds, total # solute-solvent hbonds, # of bridging waters, and
finally a comma-separated list of bridging water residues #s.

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Wed Sep 12 2012 - 17:30:03 PDT