Welcome to the Automated Forcefield Optimization Extensions’ documentation!

Contents:

• Automated Forcefield Optimization Extension
  • Currently implemented
  • Using Auto-FOX
  • Installation
• Auto-FOX Documentation
  • Radial & Angular Distribution Function
  • Root Mean Squared Displacement & Fluctuation
  • The MultiMolecule Class
  • Addaptive Rate Monte Carlo
  • Monte Carlo Parameters
  • Multi-XYZ reader
  • FOX.ff.lj_param
  • PSFContainer
  • PRMContainer
  • RTFContainer
  • TOPContainer
  • Properties
  • Recipes