AMBER Archive (2006)

Subject: AMBER: new article on Amber force fields

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Fri Sep 15 2006 - 14:47:34 CDT

I apologize for using the Amber list to advertise my own article,
but I think it might be very useful to Amber users. We have
published a comparison of many variants of the Amber protein
parameters including a new set that we recently developed and
have been using in our simulations. The article discusses some
important issues and serious problems with some of the parameter
sets that Amber users (as well as people that use the Amber
force fields with other programs) should know about.
The article is available in the Early View for the journal
Proteins: Structure, Function and Bioinformatics
http://www3.interscience.wiley.com/cgi-bin/abstract/112786705/ABSTRACT 

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        E-mail: carlos.simmerling_at_stonybrook.edu
Stony Brook, NY 11794-5115

Academic year 2005 address:
Brookhaven National Laboratory
Computational Science Center
Upton, NY 11973
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