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Principally, you should have a look into |
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I am getting an error while trying to docking with maizi as contact, can you tell me why this is?Here is my script part
[[scoring.component]]
[scoring.component.maize]
[[scoring.component.maize.endpoint]]
name = "docking into 2XCH grid"
weight = 1
params.executable = "miniconda3/envs/maize/bin/maize"
params.workflow = "maize/maize/steps/maize-contrib/workflows/mai/reinvent/glide.yml"
params.debug = true
params.keep = true
params.config = ".config/maize"
params.parameters.receptor = "REINVENT4/2xch.pdb"
params.log = "maize_worfklow_docking.log"
transform.type = "reverse_sigmoid"
transform.high = -7
transform.low = -13.5
transform.k = 0.2
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