Classical molecular dynamics

• Molecular dynamics
• Empirical potentials
• Multiscale approaches
• Long-range interactions and polarization
• org CMTS

PLUMED - PLUgin for MolEcular Dynamics

C Brooks, D Case, S Plimpton, B Roux, D van der Spoel, E Tajkhorshid, Classical molecular dynamics, JCP 154, 100401 (2021) – doi