Comments (3)
Hi @dimkorov
Thank you for letting me know about the issue. I will take a look and back to you.
Thank you.
Best,
Pablo
from making-it-rain.
I ran into a similar issue, it kind of got fixed when I used the 3D structure of the ligand from PubChem and used the .sdf file rather than converting it into a PDB (cause it triggered another error while generating topology, ligand_gaff.pdb wasn't getting created). Maybe this might solve your issue too. Using .sdf fixed it both while running on colab as well as locally on my PC on vscode.
from making-it-rain.
Hello everyone,
I have changed the code. Please try running it again and inform me if it functions correctly.
Thank you.
Best regards
from making-it-rain.
Related Issues (20)
- Having Issues with the AlphaFold2+MD notebook about "no module named colabfold" HOT 1
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- protein_ligand.ipynb HOT 3
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from making-it-rain.