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Developing a Force Field

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

Abstract

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?

Keywords

Force Field Energy Function None None Rotational Barrier Fractional Charge 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

Authors and Affiliations

  • Kjeld Rasmussen

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