[gmx-users] fugeQQ in buckingham
David van der Spoel
spoel at xray.bmc.uu.se
Tue Dec 12 09:03:54 CET 2006
> 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 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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