FFGenerAtor 2.0 - an automated tool for the generation of MM3 force field parameters
FFGenerAtor 2.0 is a tool to customize the MM3 force field. It consists of two main programs, one that determines the missing parameters in the chosen structures and one that optimizes the parameter set using a genetic algorithm. The C++ program was developed on a LINUX system; all necessary software is available free of charge. The best parameter set is determined without changing the original MM3 parameters based on the chosen structures. Several different switches allow the properties and composition of the genetic algorithm to be changed.
mm3 force field genetic algorithm parameterization