9. Glossary

Force field; forcefield

Series of equations and empirical parameters designed to account for interactions between atoms, molecules and particles.

Mécanique moléculaire; molecular mechanics

Using a force field to calculate energy.

Dynamique moléculaire; molecular dynamics

Integration of the equations of motion to animate atoms, or particles; the result of molecular dynamics is a trajectory, a sequence of configurations.

Configuration; configuration

Defined as a point in phase space {r, p}.