[gmx-users] The force (4.4) in page 50 of manual

[David van der Spoel]

On Mon, 2004-05-24 at 18:46, Albert Sun wrote:
>         Dear Users,
>         
>         I am unclear on the force (4.4) in  page 50 of Gromacs
>         manual. 
>         
>         The force (4.4) derived from L-J potential (4.3) has missed
>         one rij^(-1).
>         
>         Therefore the fist item in (4.4) should be rij^(-13)  and 
>         
>         the 2nd item should rij^(-7).
>         
>         Is it right?
You are right. I have fixed it in the documentation.
>         
>         Please advise.
>         
>         Regards,
>         
>         Albert
>         
>          
>         
>            
>         
> 
> 
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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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