juexinwang / NRI-MD

Neural relational inference for molecular dynamics simulations
MIT License
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A question about window choose #6

Open Paulie-ai opened 2 years ago

Paulie-ai commented 2 years ago

Hi juexin,

Recemtly I read your code file convert_dataset.py and find the default value of pdb_end is set to 56, how to understand this setting, cause in "read_feature_MD_file_slidingwindow function" it name window choose to decide flag, should it be 59 or some value? I confused about it, could you give me some explanation about this, thanks very much !