Abstract
This contribution discusses the need for adaptive model reduction when simulating biopolymeric systems and the issues surrounding the execution of these model changes in a computationally efficient manner. These systems include nucleic acids, proteins, and traditional polymers such as polyethylene. Two distinct general strategies of reducing selected degrees-of-freedom from the model are presented and the appropriateness of use is discussed. The strategies discussed herein are a momentum based approach and a velocity based approach. The momentum-based approach is derived from modeling discontinuous changes in model definition as instantaneous application (or removal) of constraints. The velocity-based approach is based on removing a degree-of-freedom when the associated generalized speed is zero. A Numerical example is included that demonstrates that both methods similarly characterize long-time conformational motion of a system.
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Laflin, J.J., Anderson, K.S., Khan, I.M. (2014). Strategies for Adaptive Model Reduction with DCA-Based Multibody Modeling of Biopolymers. In: Terze, Z. (eds) Multibody Dynamics. Computational Methods in Applied Sciences, vol 35. Springer, Cham. https://doi.org/10.1007/978-3-319-07260-9_3
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DOI: https://doi.org/10.1007/978-3-319-07260-9_3
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