Method to keep ATP in the certain position in the prepack step

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    • November 21, 2017 at 1:55 pm #2787
      Anonymous

        Dear all,

        during I’m using flexpepedock, I gengerated a param file for the ATP. But in the prepack step, the program moved my ATP out of the ATP pocket. I’ve used movemap and constraint file but it didn’t work. The ATP still got “kick out”.

        I was wondering how to let ATP not move during the prepack step?

        I attached the PDBs before and after prepack step as well as my prepack flags.

        Thank you!

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