[gmx-users] Fe(II) at active site

X.Periole X.Periole at rug.nl
Sat Jul 29 14:45:14 CEST 2006


> Thanks for your opinion. This is my maiden attempt to 
>simulate a protein
> so the reason for the mistake. If possible could you 
>please refer me
> some paper, which describe the simulation of a system, 
>contains Fe (II)
> at its active site. I tried my best, but could not find 
>a one.

I am affraid that there are not much of this type of 
Ions are a big issue in MD simulations ! I personaly can
not remember any with Fe-II !!

May be other users could point you to such studies.


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