[gmx-users] Role of epsilon_rf in implicit solvation
per.larsson at sbc.su.se
Fri Nov 19 12:40:12 CET 2010
It would be nice to have reaction-field for GB as well, but currently this is not the case.
The polarisation energy is scaled using (1.0/epsilon_r - 1.0/gb_epsilon_solvent) always, epsilon_rf is never used.
19 nov 2010 kl. 12.30 skrev Christian Mücksch:
> So is this epsilon_rf also used in combination in implicit solvent models regarding the dielectric constant beyond cut-off? If yes, what would be an appropriate value for this constant?
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