[gmx-users] potential energy
mahmaz71 at gmail.com
Sat Jan 10 22:22:02 CET 2015
I see! You are right. But my system is a nanotube not in gas phase. Is it
possible in this case?
On Sun, Jan 11, 2015 at 12:40 AM, mah maz <mahmaz71 at gmail.com> wrote:
> 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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