[gmx-users] Value for bonded force constant (Kb)

[Tsjerk Wassenaar]

Hi Raja,

No objections from my side. But if you could also include the references
resulting from your literature study, that would be nice to have in the
archive (may save somebody searching the literature to find some iron -
ligand parameters).

Cheers,

Tsjerk

On 5/10/06, raja <raja_28 at fastmail.us> wrote:
>
> Hi gmxions,
> Based on the litterature search , I am going to use Kb
> value of " 4 Kcal/mol A2" (1673.6 KJ/mol nm2)as harmonic bonded force
> field constant(type 6) for restraining distance of Fe(II) ligated with
> atoms of 2 Nitrogen  and  1 Oxygen. If any one having objection please
> correct me ):  .
>
>
> With thanks !
> B.Nataraj
> --
>   raja
>   raja_28 at fastmail.us
>
> --
> http://www.fastmail.fm - Send your email first class
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--

Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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