What is CHARMM?

CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a widely used molecular dynamics simulation program. It is commonly employed in the study of biomolecular systems, such as proteins, nucleic acids, and lipids, to understand their structure, dynamics, and interactions. CHARMM uses a force field, a set of mathematical equations and parameters, to calculate the potential energy of the system and simulate its behavior over time. It can also be used for energy minimization, normal mode analysis, and free energy calculations.