Gromacs problem

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1

GROMACS version:
GROMACS modification: Yes/No
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Generated 2211 of the 2211 non-bonded parameter combinations
Generating 1-4 interactions: fudge = 0.5

Generated 2211 of the 2211 1-4 parameter combinations

ERROR 1 [file LIG.itp, line 19]:
Atomtype NPYD not found

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2

It is difficult to help you with so little information. But it seems like you are using atomtypes in LIG.itp that are not defined beforehand. Perhaps there is a separate itp file for the atomtypes you need for your ligand, or you need to check why the atomtypes are not defined in your forcefield.