[gmx-users] Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?

[xuji]

Thank you for your help! Mark Abraham.
I make a mistake about the codes which compute the coulomb interactions in nb_generic.c yestoday. Sorry for it.
And I find that there're some difference between the tabulated coulomb function and Vanilla cutoff coulomb interaction
function.  So waht does contribution to the difference? Can I use the cut-off function instead of the tabulated function? 
And how can I get the parameters in tabulated function?

Appreciate any help in advance!

2009-10-25 



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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