[gmx-users] bonding parameters

Andrey V Golovin golovin at genebee.msu.su
Thu Aug 5 20:03:13 CEST 2004

Dear Aina,

Thursday, August 5, 2004, 6:03:18 PM, you wrote:

AQ> dear gromacs users,

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

please look at manual

chapter 4.2.1 and 2.2

Best regards,
 Andrey                            mailto:golovin at genebee.msu.su

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