Generating Configurations of Chains
Open ensembles (grand-canonical) often preferred
- insertion and removal of chains enhances sampling of configurations
Insertions and removals are difficult!
We’ll examine three approaches
- Simple sampling
- Configurational bias
- Pruned-enriched sampling
Consider methods in the context of a simple hard-exclusion model (no attraction, no bending energy)
- All non-overlapping chain configurations are weighted uniformly