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

Mark Abraham Mark.Abraham at anu.edu.au
Sun Oct 25 11:32:24 CET 2009

xuji wrote:
> 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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