Syntax error - File UNL.itp, line 6 Last line read: '[ atomtypes ]' Invalid order for directive atom

User discussions
1

GROMACS version:
GROMACS modification: Yes/No
Here post your question
while running the following command:
gmx grompp -f ions.mdp -c 1_solvated.gro -p topol.top -o ions.tpr
I am getting this:
Fatal error:
Syntax error - File UNL.itp, line 6
Last line read:
‘[ atomtypes ]’
Invalid order for directive atomtypes
Link for documents:
https://drive.google.com/drive/folders/1Ka4B4DVvsRMexdsMOqw13GXadev0TTNO?usp=sharing

2

HI,
It looks like that the order of the directives in the topology file is wrong.
Topology files are hierarchical in GROMACS. In the following table you find the order in which the directive in the topology file are expected to be found
https://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html#topology-file
I hope it helps to understand where is the problem.
\Alessandra