2012 Volume 67 Issue 5 Pages 343-349
Computational physics study of protein systems is done by molecular simulations based on Monte Carlo and molecular dynamics methods. In order to perform such computer simulations, one has to specify a potential energy (or, force field) of the system. The force field functions that have been developed by research groups in the U.S.A. and Europe for many years are commonly used. In this article, we discuss the validity of these force fields and introduce a method for developing a new force field with high accuracy.