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Molecular mechanics Newton-Raphson method

HyperChem s optimizers (steepest descent, Fletcher-Reeves, and Polak-Ribiere conjugate-gradient methods, and the block diagonal Newton-Raphson) differ in their generality, convergence properties, and computational requirements. They are unconstrained optimization methods however, it is possible to restrain molecular mechanics and quantum mechanics calculations in HyperChem by adding extra restraining forces. [Pg.3316]

See other pages where Molecular mechanics Newton-Raphson method is mentioned: [Pg.49]    [Pg.6]    [Pg.169]    [Pg.8]    [Pg.196]    [Pg.270]    [Pg.7]    [Pg.208]    [Pg.537]    [Pg.13]    [Pg.47]    [Pg.489]    [Pg.279]    [Pg.288]    [Pg.133]    [Pg.165]    [Pg.51]    [Pg.169]    [Pg.268]    [Pg.261]    [Pg.539]    [Pg.461]    [Pg.490]    [Pg.799]   
See also in sourсe #XX -- [ Pg.723 ]



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Newton-raphson method

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