fulya caglar wrote:
Hi all!
I have a protein-protein complex in my simulation so I used the pdb2gmx
command
for getting the .itp file.
pdb2gmx generates .top files, technically speaking.
Then i added the corresponding .itp file in
the top file .
While running the grompp i am getting the following error:
ERROR 1 [file "drg.itp", line 7]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 2 [file "drg.itp", line 8]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 3 [file "drg.itp", line 9]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or
4)..............
But when I checked the .itp file it is exactly same the .itp file of my
successful simulations of the ligand protein.
I would be very grateful to know why I get this type of error and what
can I do about this. Thanks very much.
Last time I saw something like this it was the dihedral type changing
from one setting to another (or to or from a default). Check chapter
five and the first section of your .top files. Do let me know what the
problem was and I'll FAQ it for the Wiki.
Mark
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