How to view the conformational change in the protein after MD simulations of protein ligand complex?

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

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fatal error

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fatal error

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fatal error

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Peng Lian

You can load the trajectory into VMD, and then do an alignment with the alpha carbon atoms of the protein (VMD--Extensions--Analysis--RMSD Trajectory Tool). After that you can view the confrontational change by watching the trajectory.

Som Dutt

You can load it in the Discovery studio software.

S. Xavier

I use Discovery Studio Visualizer v17.2.0.16349. How to load it? Please let me know.