Hi Mark, I checked my .top file and I saw that there is no q0 column under the [dihedrals] in the complex topology file but there is q0 column in the ligand protein .top file.Dou you think that it is the source of my problem?Thanks very much. Fulya
Mark Abraham <[EMAIL PROTECTED]> wrote: 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 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php --------------------------------- Be a better Heartthrob. Get better relationship answers from someone who knows. Yahoo! Answers - Check it out.
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