Dear AMBER developers,I have performed 25ns MD simulation on 3 protein-protein complex systems using AmberTools20 based on MM/PBSA tutorial on ambermd.org website. Trajectories analyses were done by AmberTools15. RMSF plot of my simulated complex in all three cases shows unusual fluctuations and it's plot looks wrong. I'm unable to understand the reason. RMSD and RMSF plot are attached below.Kindly help me.Best regards,Fatemeh
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Received on Sun Sep 20 2020 - 02:30:02 PDT