Hi! Yes, the GB-polarization energy corresponds to the solvent-solute electrostatics polarization energy. The non-polar part of the solvation energy (the solvent-solvent cavity term and the solute-solvent vdw-term) are named Non. polar solvation (or something like that) in the log-file.
/Per 4 nov 2010 kl. 11.10 skrev 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: mueck...@rhrk.uni-kl.de > > -- > 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 -- 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
