Hi all, I run an energy minization, then calculated the energy, obtained the following results:
LJ-(SR) -4431.62 1905.29 1886.7 -27.08 - 919.923 Coulomb-(SR) -35926.5 14398.4 14389.9 -50.5129 -1715.95 Potential -46818.1 20524.5 20248.7 -341.91 - 11614.9 Kinetic-En. 0 0 0 0 0 Total-Energy 0 0 0 0 0 Temperature 0 0 0 0 0 Why the Total-energy is not the sum of Potential and Kinetic-En.? Thanks!
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