Hi! 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.
Cheers /Per 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? -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
