[gmx-users] pdb2gmx throws a fatal error for Carbon Monoxide

Acqualine Lobo acqualobo02593 at gmail.com
Thu Mar 2 15:18:43 CET 2017

Thanks for the quick reply Dr. Justin!

I did follow what you mentioned, however I still get the same error. I also
tried changing the residue name in the pdb file to match the atom type as
in the .atp file, the error still remains only with a different residue
name. Instead of "Residue 'CMO' not found in topology database" it says
"Residue 'CM' not found in topology database".

This is my first time using gromacs and I feel really lost. Any suggestions
are welcome.

Thanks in advance

Acqualine Lobo

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