ForceField Manual

The forcefield AMS engine implements classical force fields.

• (PDF) ForceField Manual

Table of Contents:

• Introduction
  • Available force fields
  • ForceField-GUI
  • What’s new in ForceField 2024
  • What’s new in ForceField 2023
  • What’s new in ForceField 2022
  • What’s new in ForceField 2021
  • What’s new in ForceField 2020
  • Force field setup for AMS applications
  • Classical force fields
• Atom typing behavior
  • UFF
  • GAFF
  • APPLE&P
  • Other forcefields
• Input via the AMS system block
  • ForceField input example
  • Antechamber integration
• ForceField Engine Options
  • Common options
  • Amber force field options
  • UFF options
  • APPLE&P force field options
  • Offloading calculations to LAMMPS
• APPLE&P
  • APPLE&P use cases
  • APPLE&P potential shapes
  • APPLE&P Python functions
• Parameter files
  • UFF parameters
  • AMBER parameters
  • APPLE&P parameters
• Potential shapes
• Periodic ForceField
• Required citations
  • External programs and libraries
• References

• Examples
• Keywords
• KF output files