DynamO

DYNAMO (DYNAMics of discrete Objects) is a general, event driven simulation code capable of simulating millions of particles in short times on commodity computers.

Features

Some of the features of DYNAMO are:

Optimised interactions for:

• Hard spheres
• Square well and square shoulder models
• Square bonds
• Soft cores
• Parallel cubes
• Rough hard spheres (rotational degrees of freedom).
• Arbitrary stepped isotropic potentials.

Boundary conditions:

• Periodic boundary conditions
• Lees-Edwards simple shear conditions
• Infinite dimensional systems.
• Semi-periodic systems.
• All are generalised for square and rectangular systems.

Analysis Tools:

• Histogram reweighting tools.
• Replica exchange temperature optimisation
• Cluster analysis of molecular structures to determine the fold-ability of polymer sequences and parameters.

External links

• DYNAMO home page