I want to know that positive total energy for noble gases at 300k in equilibrium state is reliable or not? On 6 Aug 2015 11:02, "Sunil Ghimire" <[email protected]> wrote:
> I simulated the mixture of argon and krypton(400 atoms).After > equilibration run with NPT ensemble at temperature 300k and pressure 1 bar > with compressibility 1 bar-1, I obtained required density and pressure but > the potential energy was negative and total energy was positive.Is it > (positive total energy ) matters or not? > Best regards, > Ghimire sunil > -- 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 [email protected].
