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 <[EMAIL PROTECTED]> 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
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raja
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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
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