**Newton** is a classical molecular dynamics
code: it computes the trajectory of a collection of
particles by numerically solving Newton's equations of
motion. Newton can model atoms, simple organic molecules,
polymers, biological molecules and coarse-grained systems
using a collection of inter- and intra-molecular
forcefields. Newton has been developped in our laboratory to
study transport properties in simple organic fluids and
fluid mixtures.

**Main features ** are listed below...

- Solves differential equations of motion using the
**Velocity-Verlet**algorithm. - Handles
**pairwise**Lennard-Jones, Buckingham, DPD, Coulombic potentials (with Ewald or particle-mesh Ewald). - Includes bond, bend, dihedral, improper
**intra-molecular**potentials. -
**Rattle constraints**between any pair of particles in the same molecule. - NVE, NVT, NPT ensembles with P and T control via
**NosÃ©/Hoover or Berendsen**thermo/barostat. - Implements several
**non-equilibrium algorithms**(HeX, BD-RNEMD algorithms) dedicated to the study of heat, mass and momentum transport. It has been widely applied to the prediction of diffusion, viscosity or thermal diffusion coefficients (Soret effect).

**Specific features ** are listed below...

- Newton is coupled with our Monte Carlo Gibbs code
to take advantage of the best of the two
worlds:
**hybrid Monte Carlo-molecular dynamics**simulations. - Newton can handle united atoms forcefield,
including the
**Anisotropic United Atoms model**. - Newton has been optimized for multicore machines
with
**parallel programming**using both MPI and OpenMP librairies.