[CP2K:1020] Harmonic Force Constants

Teodoro Laino teodor... at gmail.com
Fri May 9 17:29:34 UTC 2008

Hi Jack,

have a look at the very first papers on the forcefields  
parameterization: just to cite fews AMBER, CHARMM or GROMOS
(of course there are many others).
You should find all details on those papers.
Most of the time, what people call research is just a rediscovery..
In your case the parameterization of a FF is a quite well established  


On 9 May 2008, at 19:20, Jack Shultz wrote:

> I am trying to find out how to calculate Harmonic Force Constants.
> Does anyone have experience with this?
> >

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