On Sat, Nov 15, 2014, Fatemeh Sadat Alavi wrote:
>
> Can anyone suggest me where can i get amber parameters for Heme in which Fe
> is co-ordinated to histidin.Is there different parameter for oxophlorin?
> I started with the (rather old) parameter files in the
> contributed parameters database:
> http://www.pharmacy.manchester.ac.uk/bryce/amber
The parameters above have the iron coordinate to His. You would need
different parameters for oxophlorin. I'm not aware of anything all these
lines.
> But I cannot match together!
It's not clear what you tried, or what the results were. People on the list
cannot help without more information that this.
The R.E.D. database is certainly a good place to start in looking for
parameters like this....you may have to start with porphyrins and make
modifcations.
...good luck....dac
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Received on Sat Nov 15 2014 - 18:00:02 PST
