Gromacs: Residue "UNL" not found in residue topology database . how can resolve this ?

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Mohamed Ali Elrefaiy

you could use acpype to generate topology file for your ligand.

this will generate topology and coordinate file for your ligand after that add (; Include ligand topology) to the topol.top after the (; Include forcefield parameters) to avoid any further errors.

Amit Chaudhary

How can use this command?? In Python??

Thank you

see the attached file, put it in the directory that contains your input file.

I don't know how to run this command. I am new in this filed.

Thank You