reduced protein models

From: "J. Zheng" <jzheng73 |-at-| u.washington.edu>
Subject: reduced protein models
Date: Wed, 10 Apr 2002 16:49:41 -0700 (PDT)

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