nanover.openmm package

Interface between NanoVer and OpenMM.

Submodules

• nanover.openmm.converter module
  • add_openmm_state_to_frame_data()
  • add_openmm_topology_to_frame_data()
  • openmm_to_frame_data()
• nanover.openmm.imd module
  • ImdForceManager
    • ImdForceManager.add_to_frame_data()
    • ImdForceManager.update_interactions()
  • add_imd_force_to_system()
  • create_imd_force()
  • populate_imd_force()
• nanover.openmm.potentials module
  • restrain_particles()
  • restraint_force()
• nanover.openmm.serializer module
  • deserialize_simulation()
  • serialize_simulation()
• nanover.openmm.thermo module
  • compute_dof()
  • compute_instantaneous_temperature()