Simulation of the photodissociation experiment performed in a large neutral cryogenic clusters is described in this chapter. The emphasize is put on the methodological aspects of the simulations, namely on the correct preparation of the initial state. Possible control of photodissociation process is discussed. The good agreement between theory and experiment not only indicates the quantitative predictive power of the calculations, but also confirms that the experimental concepts and analysis of cluster production in supersonic beams are quite reliable.