Hello everyone, I'm calculating the relative free energy of binding of DNA bases on a carbon nanotube via thermodynamic integration. Because I'm interested in the relative binding free energies, I'm morphing G into A followed by A into C and so on.
My question is, is there a way to extract the relative enthalpy and entropy of binding from the calculated free energy? Thanks, Bob _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
