some solvent in nanotube actually! What do you mean by various energy components? In the results, I just have terms for potential, kinetic, total energy and conserved energy which are all positive in all steps.
On Sun, Jan 11, 2015 at 12:52 AM, mah maz <mahma...@gmail.com> wrote: > 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.
