[gmx-users] Invalid order for directive atomtypes-

Atila Petrosian atila.petrosian at gmail.com
Fri Sep 4 19:57:40 CEST 2015

Dear gromacs users,

My system contains protein and ligand. I get conf.gro and topol.top for
protein using pdb2gmx. I used antechamber and acpype for my ligand. I get 2
files: lig.top and lig.gro.

Since it should be just 1 topology file, I modified lig.top as lig.itp and
included it in topolo.top file.

Unfortunately, I encountered with following error:

Fatal error:
Syntax error - File lig.itp, line 3
Last line read:
'[ atomtypes ]'
Invalid order for directive atomtypes

Please find the lig.top and lig.itp and topol.top files in following links:


How to modify lig.itp file to resolve this problem?


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