[gmx-users] potential energy
mahmaz71 at gmail.com
Sat Jan 10 22:39:26 CET 2015
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 <mahmaz71 at 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 <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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