[Dock-fans] amber score structures

barbara rossi chivieneechiva at hotmail.it
Thu Jun 2 06:33:33 PDT 2016


Dear all,

I performed amber score on a protein-ligand complex by allowing flexibility on the receptor structure

All is fine BUT I do not understand why the structure of the protein in protein.ligand.final_pose.pdb is slightly different from those in protein.final_pose.pdb.


Aren't both structures referring to the optimized complex?


Thank you for any clarification

best

barbara
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