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Free energy slow growth method

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]

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

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 Free energy slow growth method is mentioned: [Pg.515]    [Pg.584]    [Pg.600]    [Pg.173]    [Pg.195]    [Pg.22]    [Pg.99]    [Pg.113]    [Pg.198]    [Pg.21]    [Pg.99]    [Pg.113]    [Pg.159]    [Pg.764]    [Pg.515]    [Pg.584]    [Pg.236]    [Pg.639]    [Pg.55]    [Pg.403]    [Pg.121]    [Pg.159]    [Pg.26]    [Pg.351]    [Pg.106]    [Pg.155]    [Pg.564]    [Pg.1273]    [Pg.218]    [Pg.312]    [Pg.1075]    [Pg.1079]    [Pg.33]    [Pg.226]   
See also in sourсe #XX -- [ Pg.403 ]



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