hi, I am using tabulated van dar waals potential. In the table I have given only g(x) and g''(x) and everything else as zeros. The system is LJ molecules with no charge. And I have put a new atom type which has c6 and c12 = 1.0 and mass = 1.0. Is this OK. Or i have to give g(x) and h(x) separately? And what is the need for the g''(x)? Please help me.
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