Calcium ion binding protein

Date: Tue Oct 21 2008 - 16:27:31 CDT

Hi all
I am trying to simulate a calcium ion binding protein using NAMD. From a
previously posted thread,

I understand I need to apply constraints to the calcium ions but I am unable to
figure out how to go about it.I have two segments one containing the protein and
the other containing the calcium ions. How do I reflect the covalent bonds
between the ions and the protein in the topology/parameter file ?

Thanks for your attention

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