[gmx-users] potential energy
mahmaz71 at gmail.com
Sat Jan 10 22:10:56 CET 2015
Thank you Justin!
you mean we can have a stable system with positive potential and total
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!
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