I see! You are right. But my system is a nanotube not in gas phase. Is it possible in this case? Thanks alot!
On Sun, Jan 11, 2015 at 12:40 AM, mah maz <mahma...@gmail.com> wrote: > Thank you Justin! > you mean we can have a stable system with positive potential and total > energy? > Regards, > Mah > > On Sun, Jan 11, 2015 at 12:22 AM, mah maz <mahma...@gmail.com> wrote: > >> Dear all, >> I wanted to know if the potential energy gained by "g_energy -f ener.edr >> -o" the total potential energy of the system or partial ones like vdw >> energy. If it is the total energy, to my knowledge it should be negative, >> and its summation with the kinetic energy should be negative showing the >> stability of the system. In my simulation, potential energy is positive and >> the total energy is a big positive number, but no explosion happened. What >> is the problem? >> thank you! >> > > -- 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.
