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Date: Wed, 10 Apr 2002 16:49:41 -0700 (PDT)
From: "J. Zheng" <jzheng73 $#at#$ u.washington.edu>
To: chemistry -8 at 8- ccl.net
Subject: reduced protein models
In-Reply-To: <3CB4D01F.60000-: at :-iqc.udg.es>
Message-ID: <Pine.A41.4.44.0204101636530.80852-100000[ AT ]dante30.u.washington.edu>
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Dear CCLer:

  I have a general question about the protein simulation. For protein
simulation, force field is important issue. As I know as far, most of
persons use different force fields such as Charmm, Gromas, Amber etc to
describe different protein systems with all-atoms model.

  Sometimes protein is so huge that we have to consider another way to
deal with it. For example, we introduce new algorithm (Cell multipole
method, PPPM) to reduce computation time, or we resort to  parallel
program.  I am curious
that does anyone has develop the general force field (epslo, sigma,
charge) for only 20 acid amio residues if we treat each residue as
one atom.  If yes, could you please give me a reference
paper?

   Now I am working on one protein simulation. I was just thinking about
which way I should go.

   I will appreciate for any suggestion.

   good day.

   jie
-----------------------------------------------
|  JIE ZHENG                          	      |
|  Department of Chemical Engineering	      |
|  University of Washington		      |
|  Seattle, WA 98105, USA   		      |
-----------------------------------------------
|  Tel:  (206) 616-6510 (o)		      |
| Email: jzheng73[ AT ]u.washington.edu	      |
| Webpg: students.washington.edu/jzheng73     |
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