[gmx-users] Add ions on protein

[Qiang Zhong]

Hellow:
    I have a protein which have 4 calcium ions binding sites,Now I have the free
calcium ions protein, I want to add calcium ions on the binding sites,but I know
the free ions protein conformation is very different to ions loaded protein. So I
want to know whether there is some way to let complex of protein and ions to a
native ca2+ loaded conformation.
     Could somebody tell me how to do?
     Thank you very much!




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Qiang Zhong
Key Lab of Agricultural Animal Genetics, Breeding and Reproduction of Ministry of Education 
College of Animal Sciences and Technology 
Huazhong Agricultural University
Wuhan,Hubei, 430070
PR China