[gmx-developers] LJ14 potential?

[David]

On Tue, 2005-10-11 at 11:29 -0400, Scott Thibault wrote:
> > LJ14 is, as the name says, a standard Lennard-Jones potential.
> > For technical reasons we use a table lookup.
> 
> Right, but do you know the exact formula?  I am trying to recode it.
> I assume there is some difference in constants from the standard LJ
> calculation of inl1100.
Yes, but the functional form is the same.


>  
> --Scott
> 
> 
> 
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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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