We are pleased to announce the release of OpenMD version 1.0. This version is a substantial rewrite and includes many new features relative to our old code (OOPSE):

  • A new MD (meta-data) input file format
  • Amber force field and numerous other changes to aid in protein simulation
  • New Hydrodynamics code to allow Langevin simulation of rigid bodies of arbitrary shapes (this is particularly useful for coarse-grained simulations)
  • New electrostatics code including the efficient damped-shifted-force method
  • A new Langevin Hull constant pressure algorithm