[gmx-users] bonding parameters

Aina Quintilla aina.quintilla at int.fzk.de
Thu Aug 5 18:03:18 CEST 2004


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.. 

thank you

aina




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