Hi What I want to do is to calculate the RMSD of one binding pocket residue of my protein after fitting to the Ligand in my simulation.
I have tried the following using g_rms: selecting 12 LIG groups to compare 2 selecting 12 LIG selecting 16 resid162 But I don't know if this is the doing the correct thing, or if this is the correct way to do this. Could anyone please advise? Thanks Jo
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