Re: Fwd: CCL:reduced protein models

Hello.
 I have done something quite similar; please see
 	Hassinen T.; Peräkylä M. J Comput Chem 22, 1229-1242 (2001)
 I have used 1-3 mass points / amino acid residue, and a solvent-accessible
 surface based solvation model. The program is also available (with source
 code) at
 	http://www.bioinformatics.org/ghemical
 If you have any further questions, I would be glad to answer.
 Regards,
 	Tommi Hassinen
 	University of Kuopio
 	Dept. of Chemistry
 > Begin forwarded message:
 >
 > > From: "J. Zheng" <jzheng73-: at :-u.washington.edu>
 > > Date: Wed Apr 10, 2002  06:49:41  PM US/Central
 > > To: chemistry-: at :-ccl.net
 > > Subject: CCL:reduced protein models
 > >
 > >
 > > 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     |
 > > -----------------------------------------------