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In this paper, we consider optimal design of a type of active mechanical systems referred to as neuro-mechanical oscillators (NMOs). The purpose of an NMO is to generate oscillatory motion, and to this end we pose an optimization problem for finding values of certain design parameters such that optimized systems generate desired motions using a minimal amount of energy. A fully nonlinear model of NMOs is presented and a detailed discussion of the design problem and its numerical treatment is given. Two numerical examples are provided to illustrate how NMOs could work and the usefulness of the proposed design methodology.