Hi, >> the interface is now A + B - AB" >> WHy not HALF of (A+B-AB) ? > > You are right.
A + B - AB gives the Buried Surface Area, which is the amount of surface that gets excluded from the solvent by complexation (and consequently is twice the size of the interface). :) Tsjerk -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group Groningen Institute for Biomolecular Research and Biotechnology / University of Groningen The Netherlands -- 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/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/mailing_lists/users.php
