Contents

• General purposes
• Installation
• Overview
  • General scheme
  • Input files
  • QM database
  • Internal Coordinates & Model functions
  • Output files
  
  
• Running Joyce
• Input Files
  • JOYCE's Main Input File
  • QM Database
  • Topology Input File
  
  
• Output Files
  • Main output file
  • Generated IC file
  • Suggested dependencies file
  • Force constants assign file
  • QM and FF scan files
  • Frequency plots and energy scans
  
  
• Theory and methods
  • Force-fields
  • Parameterization Procedure
  
  
• Bibliography
• List of Figures