Developing a Force Field
The relevance of the development and use of a programming system as large and complicated as the one described in previous chapters will inevitably be questioned. This is not the place for a philosophical discussion of the virtue or the waste in doing conformational analysis. If the soundness of such research is accepted, however, a crucial question still remains: What is to be gained from investing so much effort in programme development?
KeywordsForce Field Energy Function None None Rotational Barrier Fractional Charge
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