[gmx-users] fugeQQ in buckingham

[David van der Spoel]

wurl wrote:
> hello gmx-users
> 	since the 1-4 interaction is always scaled by the fugeQQ no matter genpairs is set to yes or no, then whether this applies for the buckingham potential? i was told both from literature and the mailling list, that the buckingham potential will not include the 1-4 scaling. 
> 

this is up to the developers of the potential. but you can set it ton 1
if you wish, so what's the problem?



-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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