[gmx-users] potential energy

mah maz mahmaz71 at gmail.com
Sat Jan 10 21:52:34 CET 2015

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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