[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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