[gmx-users] Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)

fulya caglar fulyacaglar at yahoo.com
Thu Aug 23 13:03:56 CEST 2007


  Hi all!
 I have a protein-protein complex in my simulation so I used the pdb2gmx command 
for getting the .itp file. 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.
  Best Regard
   Fulya
   
  Hacettepe University
  Turkey
   
  

 

       
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