luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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wrong PLUMED input example in tutorials #122

Closed EnricoTrizio closed 3 months ago

EnricoTrizio commented 5 months ago

In the getting started tutorials (https://mlcolvar.readthedocs.io/en/latest/notebooks/tutorials/intro_1_training.html), there is a wrong PLUMED example input.

It reports cv: PYTORCH_MODEl=model.ptc ARG=p.x,p.y

Maybe we should also add a reference to the 'PLUMED module' section of the DOC there to make life easier.

EnricoTrizio commented 3 months ago

Fixed by #133