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! -- Gromacs Users mailing list
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