Dear users,
I've got yet another question about the implicit solvent models used in
Gromacs. I saw in some simulations that epsilon_rf was set to 0 meaning
infinite dielectric constant. The manual is not clear about this, since
it is mentioned in combination with reaction field only.
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?
Best regards,
Christian
--
Christian Mücksch
Department of Physics
TU Kaiserslautern
Erwin Schrödinger Straße
67663 Kaiserslautern
Germany
Phone: +49 (0)631 205 4287
Fax: +49 (0)631 205 4965
Email: [email protected]
--
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