General Utility Lattice Program Version 4.0 Julian D. Gale Nanochemistry Research Institute, Department of Chemistry, Curtin University, P.O. Box U1987, Perth, WA 6845, Australia email: gulp@ivec.org 1 Chapter 1 Introduction & background The General Utility Lattice Program (GULP) is designed to perform a variety of tasks based on force field methods. The original code was written to facilitate the fitting of interatomic potentials to both energy surfaces and empirical data. However, it has expanded now to
'07 PROCEEDINGS OF THE 3-rd MOSCOW CONFERENCE ON COMPUTATIONAL MOLECULAR BIOLOGY Moscow, Ru ssia, July 27 31 2007 Moscow State University INRIA, France (the French National Institute for Research in Computer Science and Control) Institute of Information Transmission Problems, Russian Academy of Sciences Scientific Council on Biophysics, Russian Academy of Sciences National Research Centre GosNIIGenetika International Foundation of Technology and Investment w i th fin anc ia l s u p port o f Russian