Hello Users, I need to calculate the cohesive energy for my system, for which the enthalpy of vaporization is needed. Am I right to assume that just the non-bonded interaction energy (potential energy) is required to calculate the enthalpy of vaporization ?
Many Thanks! -Pallavi Banerjee -- 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.