while trying to generate CGenFF topology for Ligand after extracting from docked file, i got error which i'm showing as a picture. What could be the possible reason and how will i rectify it for smooth running of MD simulation.
use CgenFF server.
https://cgenff.silcsbio.com/
share the log file..
Jobin Thomas this is the pdbqt file of the docked protein-ligand complex.
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