Script conversion problem

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1

GROMACS version: 2019
GROMACS modification: No
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I am trying to paramaterize an analog of glucose. When I use script cgenff_charmm2gmx.py downloaded from the MacKerell website to convert ParamChem CGenFF toppar stream file from CHARMM to GROMACS format.

python cgenff_charmm2gmx_py3_nx1.py BGC_fix.mol2 BGC.str charmm36-feb2021.ff
What I get is this: Usage: RESNAME drug.mol2 drug.str charmm36.ff
How to fix this in order to generate my itp file?

2

You didn’t specify a residue name, which is the first required argument as noted in the error message.