Hi Thank you for your advice and sorry for disturbing you agian.
I read the cooresponding relevant manual sections, I've known how to get the parameters of the tabulated funcionns. But how much is the difference between the direct computation and the table lookup method is? For example, I simulated a box of water. The results of tabluted and simple cut-off method of coulomb interation differ a lot. And is it right to use simple cut-off coulobm fuction conjunction with the PME method to get the whole coulomb contribution? 2009-10-26 Ji Xu The State Key Laboratory of Multiphase Complex System Institute of Process Engineering Chinese Academy of Sciences Beijing 100190, China Tel.: +86 10 8262 3713-804
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