[gmx-users] "invalid order for directive atomtypes", but only one ligand

[Jonathan Saboury]

Hello all,

I'm getting an error when running grompp, "invalid order for directive
atomtypes".

I used to get this error whenever there were two or more additional .itp's
for ligands. This would be fixed by adding the [atomtypes] together and
deleting dupicates.

This case however there is only one ligand I am adding, so no idea where I
should concatenate the [atomtypes].

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

Commands: http://pastebin.com/raw.php?i=FWA2W2Dd

Zip of all files (2.7MB): http://ge.tt/35Gex882/v/0

Thank you!