Location of terminal groups of dendrimers: Brownian dynamics simulation

Brownian dynamics simulation is performed on a dendrimer with branching at every bead (model A) or at every other bead (model B). The total number of generations for a given dendrimer is denoted by g, where a dendrimer with g = 0 contains a central core with three (model A) or six (model B) rigid bonds. Up to the g = 6 generations are simulated. Torsional and valence angle potentials are not employed, and the Ermak-McCammon equation of motion is used in the presence of hydrodynamic and excluded-volume interactions. The dendrimer is allowed to equilibrate for 500,000 time steps. Following equilibration, production runs are performed consisting of 400,000-3,000,000 time steps, depending on the size of the dendrimer.