Welcome to FESetup1.2’s documentation!

Contents:

• Introduction
  • Capabilities and Description
  • General
  • MD engines
  • Maximum Common Substructure Search
  • Adding hydrogens
  • Charge parameterisation
• Installation
  • Dependencies
• Running FESetup
  • Command line
  • Input format
  • Explicit tagging mechanism
• Input Options
  • Full option list

Indices and tables