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Single-configuration thermodynamic integration

MCTI = multi-configuration thermodynamic integration PMF = potential of mean force SCTI = single-configuration thermodynamic integration. [Pg.1083]

The original and still commonly used approach for thermodynamic integrations is to evaluate the derivative from a single configuration, which allows for a large number of integration steps... [Pg.92]

See other pages where Single-configuration thermodynamic integration is mentioned: [Pg.92] [Pg.93] [Pg.110] [Pg.114] [Pg.1075] [Pg.1086] [Pg.92] [Pg.93] [Pg.110] [Pg.114] [Pg.1075] [Pg.1086] [Pg.160] [Pg.403] [Pg.366] [Pg.141] [Pg.69] [Pg.416] [Pg.2] [Pg.3] [Pg.328] [Pg.394] [Pg.1079] [Pg.190] [Pg.179] [Pg.198] [Pg.509] [Pg.592] [Pg.148] [Pg.2] [Pg.63] [Pg.306] [Pg.532] [Pg.539] [Pg.344]

See also in sourсe #XX -- [ Pg.92 , Pg.110 , Pg.114 ]

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Configuration integral

Configurational integral

Configurational thermodynamics

Integrals configurative integral

Integration thermodynamic