R.E.D. User's Manual and tutorial

R.E.D. version 2.0User's Manual and TutorialAuthors:(1,3)F.-Y. Dupradeau (1)A. Pigache (1,3)T. Zaffran (2)P. Cieplak (1) DMAG EA 3901 & Faculté de Pharmacie, Amiens, France(2) The Burnham Institute, La Jolla, CA, USA(3) The Scripps Research Institute, La Jolla, CA, USAAll contents © 2005, Université de Picardie Jules Verne, Amiens, FranceAll Rights Reserved.Manual & Tutorial -2-Table of Contents-I- WHY R.E.D. & X R.E.D.?..................................................................................................3-II- WHAT IS NEEDED TO EXECUTE R.E.D. & X R.E.D.?............................................5-III- HOW TO USE R.E.D. & X R.E.D.?...............................................................................9* General variables available in R.E.D..................................................................................9* Execution of R.E.D...........................................................................................................11* Execution of X R.E.D.......................................................................................................11* Execution of GAMESS & Gaussian in parallel within R.E.D.........................................11* Miscellaneous...................................................................................................................13-IV- INPUTS AUTOMATICALLY GENERATED BY R.E.D.........................................14* Geometry optimization input for GAMESS.... ...