[gmx-users] Problem with positive total energy

[Sunil Ghimire]

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" <ghimiresunil48 at gmail.com> 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
>