COarse-Grained molecular dynamics program by NAgoya Cooperation

COGNAC is a general molecular dynamics simulation program which covers a large class of molecular models, ranging from full atomistic models to bead-spring models. Many potential functions used in coarse-grained models are implemented in COGNAC, such as Lennard-Jones, Gay-Berne and Coulombic potentials, and new potential functions can be added easily. COGNAC can conduct MD simulations under various conditions such as under constant temperature, under deformation (elongation and shear), and under external fields. COGNAC has a special function, called zooming, which generates the equilibrium molecular configuration for given density profile of atoms.

Basic functions

  • - Molecular dynamics(Coarse Grained, Full Atomistic)
    /Langevin dynamics/Dissipative Particle Dynamics
    /Energy minimization
  • - Potential:
    two, three, and four body bonding potential
    Non-bonding interaction, e.g. LJ, GB, Coulomb
    External potential, e.g. electric field, solid wall
  • - Ensemble : NVE/NVT/NPH/NPT and non-equilibrium dynamics
  • - Chemical reaction
  • - Initial structure generation, e.g. amorphous, helix, crystal
  • - Functions for zooming
  • - Parallel simulation based on OpenMP
  • - Converter function (LAMMPS, PDB)

Examples of applications

  • - Chain conformation of phase-separated block copolymers
  • - nterfacial properties of polymer blends
  • - Properties of semi-crystalline lamellae
  • - Elastic properties of network polymers
  • - Clay-polymer nanocomposites
  • - Dynamics of confined polymer melts
  • - Phase transition of liquid crystals
  • - Ion diffusion in polyelectrolytes

COGNAC Slide Show >>