[gmx-users] Re: Re: Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?
xuji at home.ipe.ac.cn
Sun Oct 25 05:08:44 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?
Appreciate any help in advance!
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users