[gmx-users] No default Ryckaert-Bell. types error for N-terminus acetylated peptide, opls-aa force field

[chris.neale at utoronto.ca]

The inability to search the archives is certainly leading to some  
redundancy. I use google now, it does a decent job of digging up stuff  
from the gmx mailing list archives -- Even the oldwww search link  
takes me to the new site inside of the iframe so that is no use.

I suggest that the search link on www.gromacs simply link out to  
google for now as the current search doesn't appear to work.

In any event, the answer is here:
http://oldwww.gromacs.org/pipermail/gmx-users/2006-September/023872.html
http://oldwww.gromacs.org/pipermail/gmx-users/2006-September/023875.html

Chris.

-- original messsage --

I am trying to solvate a peptide which has an acetylated N-terminus in the
opls-aa force field. Running pdb2gmx (v. 4.0.2) gives me the following
error:

Error 1
No default Ryckaert-Bell types.

The guilty atoms in the topology are 4 atoms at the N-terminus. This issue
has been raised before as well in the mailing lists.

Is there a way to fix this?

thank you

-Maria.