Re: [AMBER] correct way of imaging for rdf

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 23 Jan 2014 11:44:04 -0700

Hi,

On Thu, Jan 23, 2014 at 11:05 AM, Jio M <jiomm.yahoo.com> wrote:

> thankful if you can please can refer to some paper/link which explains the
> pseudo algorithm and difference between these two image processes.
>

The 'autoimage' procedure is briefly described here (in CPPTRAJ-Specific
Commands):

http://pubs.acs.org/doi/full/10.1021/ct400341p

The 'image' command just performs basic imaging, i.e. there is no attempt
to keep certain molecules fixed to an anchor molecule.

-Dan


-- 
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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 Thu Jan 23 2014 - 11:00:02 PST
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