[gmx-users] GB-polarization

[Christian Mücksch]

Dear all,

I've got a general question regarding implicit solvent simulations.
Using g_energy there's an option to print out the GB-polarization. Is 
that the solvent-solute electrostatics polarization free energy?

How can one interpret a rise or decrease in the GB-polarization?

Kind regards,

-- 
Christian Mücksch
Department of Physics
TU Kaiserslautern
Erwin Schrödinger Straße
67663 Kaiserslautern
Germany

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