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

[maria goranovic]

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.



-- 
Maria G.
Technical University of Denmark
Copenhagen
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