[gmx-users] bonding parameters

[David van der Spoel]

On Thu, 5 Aug 2004, Aina Quintilla wrote:

>dear gromacs users,
>
>it looks like i am looking in the wrong direction.. i need some help: which is 
>the relation between the harmonic constant k : F = k (r-b) and the gromacs Kb 
>parameter in ffG43axbon.itp: F = Kb (r^2-b^2) r ? it looks that it is a 
>function of r.. 
it's in the manual.

>
>thank you
>
>aina
>
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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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