Algorithm for normal mode analysis with
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Kenshu Kamiya; Yoko Sugawara; Hideaki Umeyama
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Article
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2003
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John Wiley and Sons
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English
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## Abstract A technique for performing normal vibrational analysis for biological macromolecules using general internal coordinates is proposed. The technique is based on the conventional algorithm for calculating the second derivatives of potential and kinetic energies using intramolecular dihedra