<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi,</div><div>I have a question on how to calculate the metal ion position in a protein in a simulation.</div><div>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.<br></div><div><br></div><div>I have tried g_rms, and did not work. I'd appreciate your help.</div><div><br></div><div>Thanks for your help in advance.</div><div><br></div><div>Simon<br></div><div></div></div></body></html>