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[edit]
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.