Bond Fluctuation Model
Bond Fluctuation Model |
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To discretize the molecular system altogether, the continuum chains are mapped to chains on a lattice. | |
| In the coarse-graining approach we want to map larger units of the realistic chain onto one or more units of a new chain such that the interactions between the new units reflect and mimic those of the chemically realistic chain. The units we map can be the repeating unit of the chain, or parts of the repeating unit. The decision on the size or which atoms take part in one unit can be based on the coherence and persistence length of the chain. | ||
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