[CP2K:1021] Re: Harmonic Force Constants

[Jack Shultz]

Getting the right paper is proving difficult. I've been doing
literature research for roughly 3 days at my job. I can't get all the
journal articles I want.

Jack

On 5/9/08, Teodoro Laino <teodor... at gmail.com> wrote:
>
>  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
>  technology.
>
>  Cheers
>  Teo
>
>
>  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?
>  >
>  > >
>
>
>
> >
>