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

chris.neale at utoronto.ca chris.neale at utoronto.ca
Mon Aug 17 18:32:02 CEST 2009

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:


-- 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 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


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