[gmx-users] Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?
Mark.Abraham at anu.edu.au
Sun Oct 25 11:32:24 CET 2009
> 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?
Please start by reading the relevant manual sections.
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