This non-zero value becomes quite significant if you are dealing with highly flexible molecules -
Internal molecular dynamics effects are different in the gas and liquid phases. Rasoul On Mon, Oct 5, 2015 at 3:53 PM, Pallavi Banerjee < pallavis...@students.iiserpune.ac.in> wrote: > 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. > -- 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.