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.
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Niketić, S.R., Rasmussen, K. (1977). Energy Minimisation. In: The Consistent Force Field. Lecture Notes in Chemistry, vol 3. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93063-8_5
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