[gmx-users] Value for bonded force constant (Kb)
tsjerkw at gmail.com
Wed May 10 13:50:17 CEST 2006
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 -
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 !
> raja_28 at fastmail.us
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Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
9747AG Groningen, The Netherlands
+31 50 363 4336
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