[gmx-users] Role of epsilon_rf in implicit solvation

Christian Mücksch muecksch at rhrk.uni-kl.de
Fri Nov 19 12:30:36 CET 2010

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 Mücksch
Department of Physics
TU Kaiserslautern
Erwin Schrödinger Straße
67663 Kaiserslautern

Phone: +49 (0)631 205 4287
Fax:   +49 (0)631 205 4965
Email: muecksch at rhrk.uni-kl.de

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