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The tutorial of HyRes_gpu implementation

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This is to help us learn many computational skills.

HyRes

HyRes is a hybrid resolution coarse-grained model for simulating both ordered and disordered proteins.

Ref. Liu and Chen, Phys. Chem. Chem. Phys., 2017, 19, 32421-32432

Please checkout hyres.ipynb file for details.

Install

  1. download to your local

git clone https://github.com/XipingGong/hyrestutorial.git

  1. go to the hyrestutorial folder and go through the hyres.ipynb file.

Please use Jupyter notebook to read hyres.ipynb, or use firefox to read hyres.html.

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