Change the option in the argument for the parse_arg

pierrepo / grodecoder

GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.

https://grodecoder.streamlit.app/

BSD 3-Clause "New" or "Revised" License

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Change the option in the argument for the parse_arg #82

Closed KarinDuong closed 3 months ago

KarinDuong commented 3 months ago

As we need two files to read the .coor file (.coor and .psf file), we need to change the option from --input to : --pdb, --gro, --coor, --psf and --cmd.