[gmx-users] PDB file problems
lindahl at stanford.edu
Mon May 20 19:24:13 CEST 2002
Senthil Kandasamy wrote:
> I have a pdb file generated by CHARMM. The protein has 25 aminoacids
> and I get the following error when I do pdb2gmx
> Fatal Error:
> Atom OT1 in residue GLY 25 not found in rtp database while sorting atoms.
> OT1 is the C-terminal oxygen.
> How do I fix this?
You can just remove it and only keep the "normal" GLY atoms; grompp will
generate the terminus automatically for you.
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