Restarting from incomplete run

Computer-Aided Drug Design at the Durrant Lab Forums AutoGrow4 Restarting from incomplete run

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    • #33796 Reply

      Hello everyone. I’ve been able to run Autogrow, however do to power outages in my region, the process ends prematurely. Is there a way to restart the Autogrow Run from the moment it was stopped? If there isn’t a way already programmed in Autogrow, does someone have any idea how I could do this?


    • #35192 Reply
      Jacob O Spiegel

      Hi Patricio,

      Yes, there is a built-in way of restarting AutoGrow4. Simply omit the start_a_new_run option or set it to False (if you are submitting the input parameters by JSON). By default, AutoGrow4 will try to complete the most recent (highest-numbered) run within the designated output folder.

      If this still doesn’t resolve your issue please let us know.


    • #35312 Reply

      Hi Jacob,

      Thank you for your reply. I was able to find that command and use it, however I thought I should let you know that the description for that command in the help message seems to be wrong.

      It states:

      –start_a_new_run If False make a new folder and start a fresh simulation with Generation 0. If True find the
      last generation in the root_output_folder and continue to fill. Default is False.

      I believe it should be "If True make a new folder … "

      Thanks again for your help!

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