[gmx-users] Metal Ion Position

[simon sham]

Hi,
I have a question on how to calculate the metal ion position in a protein in a simulation.
To be more more specific, I would like to make sure the metal ion stay in the binding site throughout the simulation, and not sure which analysis function to use.


I have tried g_rms, and did not work.  I'd appreciate your help.

Thanks for your help in advance.

Simon
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