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Re-implement ChemFlow config file, start with ScoreFlow. #42

@diegoenry

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@diegoenry

I suggest to start by AMBER parameters.

  1. ChemFlow --write-config to write a configuration file.

  2. Something like ChemFlow --config project_protocol_target_chemflow.config should be enough to run.

  3. Include ALL mandatory parameters such as --recetor, --ligand. and short comments about their need.

  4. After running a WorkFlow, make sure a new configuration file is written, with all used parameters, including defaults.

Make all combinations in the GUI are covered !

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