I am getting an error: ERROR 1 [file topol.top, line 57]:No such moleculetype NA. How can I resolve it?

24 May 2022 0 7K Report

I am working on a protein ligand complex using GROMACS.

In this during energy minimization step, that is:

gmx grompp -f em.mdp -c solv_ions.gro -p topol.top -o em.tpr

I am getting an error:

ERROR 1 [file topol.top, line 57]:No such moleculetype NA

As I have already checked ions.itp file and NA exists in topology file, I am unable to resolve the above mentioned fatal error.

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