[gmx-users] OPLS question

[David van der Spoel]

On Wed, 2004-05-26 at 20:13, Jee E Rim wrote:
> David,
> 
> I'm confused now, since you said that for 1-4 interactions, the VDW terms
> are scaled by 0.5 while the Coulomb terms are not scaled. Yet in oplsaa.itp,
> FudgeLJ and FudgeQQ are both 0.5. Could you clarify this?
Oops, then I was mistaken. I didn't check before I wrote that,
but I'm sure (this part of) the implementation is correct.
> 
> Thanks a lot,
> Jee.
> 
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-- 
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://xray.bmc.uu.se/~spoel
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