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Hi all, I would like to do dynamic cross correlation map analysis with AMBER for the ligand and some selected residues/waters around the ligand it in the pocket. I am wondering how to set...
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Dear all I have done multiple trajectories MD (100 ns in total or 5*20 ns) for my system with AMBER16. The Protein-ligand complex are mostly located in the edge of the water box during simulation...
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