DynamO: Difference between revisions
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Carl McBride (talk | contribs) (Created page with "'''DYNAMO''' (DYNAMics of discrete Objects) is a general, event driven simulation code capable of simulating millions of particles in short ...") |
Carl McBride (talk | contribs) m (→Features: Added an internal link) |
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*[[Histogram reweighting]] tools. | *[[Histogram reweighting]] tools. | ||
*[[Replica-exchange molecular dynamics | Replica exchange temperature optimisation]] | *[[Replica-exchange molecular dynamics | Replica exchange temperature optimisation]] | ||
*[[Cluster algorithms |Cluster analysis]] of molecular structures to determine the fold-ability of polymer sequences and parameters. | *[[Cluster algorithms |Cluster analysis]] of molecular structures to determine the fold-ability of [[polymers |polymer]] sequences and parameters. | ||
==References== | ==References== | ||
Revision as of 14:29, 28 September 2010
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.