2002 | OriginalPaper | Chapter
Multivariate Minimization in Computational Chemistry
Author : Tamar Schlick
Published in: Molecular Modeling and Simulation
Publisher: Springer New York
Included in: Professional Book Archive
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Optimization is a fundamental component of molecular modeling. The determination of a low-energy conformation for a given force field can be the final objective of the computation. It can also serve as a starting point for subsequent calculations, such as molecular dynamics simulations or normal-mode analyses.