[gmx-users] Syntax error - File lig.prm, line 2 Last line read:
Nikhil Maroli
scinikhil at gmail.com
Thu Mar 10 15:44:16 CET 2016
Dear all,
im doing protein ligand simulation i got a error whole running gmx grompp
-f em.mdp -c solv.gro -p topol.top -o ions.tpr
as
Fatal error:
Syntax error - File lig.prm, line 2
Last line read:
'[ bondtypes ]'
Invalid order for directive bondtypes
i couldt understand what was the problem in prm file.
here is the links to prm ,str and mol2 file
(prm generated using python script, and used charmgui and paramchem for
generating required files )
ligand.str
https://drive.google.com/file/d/0BxaQk_pcR9viSWtueC1lZlBWSW8/view?usp=sharing
ligand.mol2
https://drive.google.com/file/d/0BxaQk_pcR9viZUtGQVlVc3djaVU/view?usp=sharing
lig.prm
https://drive.google.com/file/d/0BxaQk_pcR9via2ZBNjhhc1NEclE/view?usp=sharing
Any suggestions welcome
--
Ragards,
Nikhil Maroli
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