Developing a Force Field

  • Kjeld Rasmussen
Part of the Lecture Notes in Chemistry book series (LNC, volume 3)


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?


Force Field Energy Function None None Rotational Barrier Fractional Charge 
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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

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  • Kjeld Rasmussen

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