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CHARMm force fields software packages

There are several MM force fields available, such as OPLS [29], CHARMM [30], AMBER [31], GROMOS [32], MMFF [33], CVFF [34], to mention a few. Several of them have been combined with the QM calculation programs and used in the combined QM/MM molecular dynamics simulations. [12,15,35,36] In our own work we have combined either GAUSSIAN94 [24] or GAMESS [25] with our own simulation software which is the modified version of McMOLDYN [37] package to study solvation phenomena and radical systems [38,39]. [Pg.108]

See other pages where CHARMm force fields software packages is mentioned: [Pg.162]    [Pg.614]    [Pg.350]    [Pg.16]    [Pg.239]    [Pg.240]    [Pg.382]    [Pg.54]    [Pg.452]    [Pg.1103]    [Pg.34]    [Pg.56]    [Pg.60]    [Pg.240]   
See also in sourсe #XX -- [ Pg.6 , Pg.7 , Pg.8 , Pg.9 , Pg.10 , Pg.11 , Pg.12 , Pg.13 , Pg.14 , Pg.15 , Pg.16 , Pg.17 , Pg.18 , Pg.19 , Pg.20 , Pg.21 , Pg.22 ]



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CHARMM

CHARMM force field

Force CHARMM

Software CHARMM

Software packages

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