The list of molecular dynamics engines that work with PLUMED are as follows (some of them require license and some are free):

  • NAMD (2.8 – 2.9)
  • GROMACS (4.5.x – 4.6.x – 5.0.x)
  • QUANTUM-ESPRESSO (5.0.2)
  • LAMMPS (6 Apr 2013)
  • AMBER (14)