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Abstract:
In our work we aim at developing a model where macromolecules are represented on a mesoscopic level as an assembly of rigid bodies which interact via arbitrary bonded and non-bonded interactions. For the non-bonded interactions we use a variant of the Gay-Berne potential, while the bonded interactions are split into an orientational part and a harmonic bond between two arbitrary points in the respective material frames. (C) 2002 Elsevier Science B.V All rights reserved.
