Classical force fields

This is the main portal that provides introductory information about classical force fields for molecular simulations.

If you want to learn how to set up force field models for simulation runs, you can go to the DL_FIELD Tutorial portal.

Table of contents:

• Atomic Interactions
• Force Fields (FF)
• Bonded interactions
• Non-bonded interactions
• Potential functions
• Model approximation
• Torsion (dihedral) functions
• Improper (dihedral) functions
• Non-bonded functions
• Lennard-Jones 12-6 Functions
• Lennard-Jones Mixing Rules
• Distance cutoffs and Ewald sums
• 1-4 interaction scaling Factors

• Force field schemes
• Model examples
• Atom typing
• Parameter fitting