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An elastic rod model for semi-flexible polymers is presented. Theory for acontinuum rod is reviewed, and it is shown that a popular discretised modelused in numerical simulations gives the correct continuum limit. Correlationfunctions relating to both bending and twisting of the rod are derived for bothcontinuous and discrete cases, and results are compared with numericalsimulations. Finally, two possible implementations of the discretised model inthe multi-purpose molecular dynamics software package LAMMPS are described.

Models for twistable elastic polymers in Brownian dynamics, and their implementation for LAMMPS