Dear Justin Very thanks for your guidance.
You are right. Excuse me for my several questions. I am beginner in gromacs. If I want to calculate delta H IN potein-ions interaction, can I use g_energy? Is Enthalpy by g_energy exact? Is there a more appropriate tool for calculating delta H in gromacs? Best wishes -- 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.
