[gmx-users] LIE equation

[David]

On Sat, 2005-05-14 at 17:13 -0700, Cesar Lopez wrote:
> Dear Friends,
>  
> Actually it is a question for the Gromac's programers. I want to  know
> exactly, What is the equation used to calculate Free energy using LIE.
> It is the usual of the papers???? or maybe change, because the use of
> Lj instead of van der wals????

If you want to know exactly, check the source code.
LJ is a model for the Vanderwaals interaction, see manual.

>  
> Thanks in advance
> Cesar
> 
> 
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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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