GROMACS modification: No
I have a (non-terminal) modified amino acid in my protein. I have already added the toplogy file in the aminoacids.rtp (attached) and put the protein label in residuetypes.dat. However, when I run pdb2gmx I get this error:
Atom OXT in residue CRO 240 was not found in rtp entry CRO with 37 atoms
while sorting atoms.
I do not even have a OXT atom name in my CRO and its not a terminal residue, so not sure why its trying to find that perticular residue
CRO.rtp.dat (2.0 KB)