Add a system with methionine rich protein and solvant (methanol, urea, ethanol).

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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Closed KarinDuong closed 2 weeks ago

KarinDuong commented 2 weeks ago

To test if our detection method of methanol work (yes it does)

KarinDuong commented 2 weeks ago

ok to merge

pierrepo commented 2 weeks ago

@KarinDuong are we now ready for merge?

KarinDuong commented 2 weeks ago

yes, ready to merge