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Force field AMBER GAFF

MD simulations of the various P of interest (dissolved in ethanol) have been carried out with the NAMD program package [47] using the AMBER force field with the parm99 and GAFF parameter sets [48,49] (details on how to handle the electrostatic interactions are given in the next section). [Pg.54]

GAFF/TIP3P The general Amber force field [6,44] and TIPSP water. [Pg.10]

Among the most used force fields of this kind we cite AMBER-GAFF [9, 10], OPLS [11], and CHARMM [12], all relying on intramolecular potential energy functions like the following ... [Pg.44]

Ozpinar GA, Peukert W, Clark T An improved generalized AMBER force field (GAFF) for... [Pg.77]

See other pages where Force field AMBER GAFF is mentioned: [Pg.352]    [Pg.78]    [Pg.55]    [Pg.169]    [Pg.103]    [Pg.103]    [Pg.234]    [Pg.332]    [Pg.80]    [Pg.66]    [Pg.333]    [Pg.31]    [Pg.123]    [Pg.507]    [Pg.86]    [Pg.283]    [Pg.359]    [Pg.133]    [Pg.52]   
See also in sourсe #XX -- [ Pg.274 ]



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