Dear users, The total energy obtained from the .edr file is the sum of potential and kinetic energy of system. But there is not any information about conserved energy in manual. Maybe I couldn't find it. I am looking for answers of the following questions: -Which energy contributions/terms does the conserved energy include? -How I get individual contributions (like constrains' contribution) to the conserved energy?
Any help will be appreciated. -- Ahmet Yıldırım -- 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.
