I attempted a quick test to generate the .gro file from the .pdb file, which I initially copied from our main source. I obtained this error:
"Atom OA in residue MET 1 was not found in rtp entry MET with 19 atoms
while sorting atoms."
This is the command line I was using: gmx pdb2gmx -f methanol_1728.pdb -o methanol_processed.gro -water spce
What could be possible solutions to this error? I previously got a similar error with hydrogens and I attempted to add "-ignh". However, the error popped up again with O.
Any insights?
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