Hi, I am using my own water model which I developed its .itp file. When simulation is done after 1ns and energy is kinetic and potential energies are analyzed, the kinetic value is almost OK, but the potential energy is almost half of the value reported in literature and another MD code that I am currently using. I double-checked the parameters I gave in the .itp with TIP4P and TIP5P to make sure everything is correct in format and unit. But I can not figure out the problem. Any ideas?
Payman
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