gypsum_thoroughness input error

Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › gypsum_thoroughness input error

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    • July 29, 2023 at 3:04 am #154280
      ddelhoyo
      Guest

      Hi, I am trying to set different values of the parameter "gypsum_thoroughness" through the cli, but I am getting Gypsum conversion errors when doing so, even when setting it to the default value of 3 (which I saw in a correct run, without setting it)
      I noticed that in RunAutoGrow.py, "gypsum_thoroughness" is set as a "str" with no default value, could you please explain why? Shouldn't it be a integer or float? How can I set it properly?
      Thank you for your help.

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