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Slow growth free energy calculations

Another approach to free energy calculations, Slow Growth, has also been employed. Slow Growth is simply the limiting case of either FEP or TI where the number of X states is extremely large. The assertion is that in... [Pg.14]

Appendix 11.2 Using the Slow Growth Method for Calculating Free Energy Differences... [Pg.631]

A third approach for the calculation of free energy differences from computer simulation is the slow growth method. Here, the Hamiltonian changes by a very small, constant amount at... [Pg.568]

The primary methods for calculating free energies—free energy perturbation (FEP), thermodynamic integration (TI), and slow growth (SG)—have been extensively described in the literature. -s Since the FEP method is used in most of the calculations cited in this review, the theoretical basis of the methodology is described in this section. [Pg.219]

See other pages where Slow growth free energy calculations is mentioned: [Pg.194]    [Pg.194]    [Pg.403]    [Pg.173]    [Pg.182]    [Pg.764]    [Pg.1053]    [Pg.1079]    [Pg.515]    [Pg.584]    [Pg.600]    [Pg.6]    [Pg.184]    [Pg.22]    [Pg.110]    [Pg.112]    [Pg.113]    [Pg.113]    [Pg.159]    [Pg.198]    [Pg.21]    [Pg.110]    [Pg.112]    [Pg.113]    [Pg.113]    [Pg.159]    [Pg.106]    [Pg.515]    [Pg.69]    [Pg.564]    [Pg.584]    [Pg.1273]    [Pg.14]    [Pg.218]    [Pg.236]    [Pg.1063]    [Pg.1075]    [Pg.33]    [Pg.55]    [Pg.534]   
See also in sourсe #XX -- [ Pg.577 , Pg.631 ]

See also in sourсe #XX -- [ Pg.577 , Pg.631 ]



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Free energy calculations

Slow-growth

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