Error in grompp

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1

GROMACS version:
GROMACS modification: Yes/No
Hii, I am carrying out MD study for a system consist of a protein and ionic liquid by gromos 43a1. for parametrizing ionic liquid i used prodrg server. But with this command
gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr

I am facing some errors with .itp files.
ERROR1 [file unk.itp, line 693]:
No default proper Dih.types

there are total 5 errors corresponds to proper dihedrals.

I am not able to resolve this problem. Please guide me to sort out this error.

Your help is much appreciated.

Thanks;

2

Hi,

The error just say that parameters for dihedral angles are missing in your force field implementation. Propably the dihedral angles are defined in the itp file, but gmx pdb2gmx does not find the corresponding values in the ffbond.itp (force field file)

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Best regards
Alessandra