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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