CHARMM force fields

CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a widely used set of mathematical models, or "force fields," that describe how atoms and molecules interact in simulations, particularly for complex biological systems like proteins and nucleic acids. These force fields consider factors such as bond lengths, angles, and non-bond interactions (like van der Waals and electrostatic forces) to predict the behavior and stability of molecular structures. By using CHARMM, researchers can simulate molecular dynamics and explore how macromolecules flex, bind, and respond to their environment, aiding in drug design and understanding biological processes.