Energy Minimisation

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

Abstract

In this chapter we shall give a summary of the theory underlying the various methods for conformational energy minimisation. We shall focus our attention on the three methods which are iamlemented in our programming system: (1) the method of steepest descent; (2) the Davidon-Fletcher-Powell method; (3) the modified Newton method.

Keywords

Amide Polypeptide Dien Dinates Ethod 

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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

Authors and Affiliations

  • Svetozar R. Niketić
  • Kjeld Rasmussen

There are no affiliations available

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