Hello everyone, Is it possible to see the energy (LJ, Cou) for simply the solute interacting with the solvent?
For example, g_energy will calculate all the energies for the entire system interactions which include solvent-solvent interactions. I would simply like the solute-solvent interactions or possibly simply the solvent-solvent interaction energies. I see g_enemat as a possible function to use. Is this the best way? Thanks. -- Best regards, Fabian F. Casteblanco Rutgers University -- Chemical Engineering -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
