Welcome to ffparam’s documentation!

FFParam is a standalone python package designed for facilitating the parametrization of the additive CHARMM and polarizable Drude force fields.

Contents:

• Installation
• FFParam-GUI overiew
  • Setting Path to External Programs
  • Top Section
  • Bottom Section
• Workflow
  • Overview
  • Prerequisites for Parametrization
  • Inspect Structural Similarity
  • Fit Electrostatic Parameters
  • Fit Bonded Parameters
• Frequently Asked Questions

Indices and tables

• Index

• Module Index

• Search Page