Dear all My system consists of protein and CNT. I know I can calculate Interaction energy and interface area using g_energy and g_sas tools, respectively.
I want to obtain Interaction energy of my system as a function of the interface area between the protein and CNT. How to do this? Any help will highly appreciated. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.