Dear Amber List
I did MD simulation for my ligand-protein complex in solvated form. I would like to do rmsd for my ligand during MD simulation and see the conformational changes of my ligand throughout the simulation. How can I do this? Is it possible to extract the trajectory of the ligand from the main trajectory.
Your help in this regard would be highly appreciated.
All the bestMaryam
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Received on Thu Feb 19 2015 - 02:00:03 PST
