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This program can be run via: python main.py. By default this will use the CHARMM absinth file as defined in the config.yaml file and will perform a check of the existing parameters. Since this can generate a lot of noise in the terminal, a "quiet" mode exists. To make it active, pass the -q flag to the main program.

In case you want to use the unofficial OPLS ABSINTH file, run python main.py -oa.

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