[gmx-users] potential energy

[mah maz]

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 <mahmaz71 at 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!
>