[gmx-users] Residue 'UNK' not found in residue topology database
Mark.Abraham at anu.edu.au
Thu Aug 16 18:06:02 CEST 2007
> Dear Gromacs users,
> Could you please help me to find out what the problem is.
Curiously enough, pdb2gmx is telling you want the problem is.
> I use command
> pdb2gmx -f C:\Soft\Gromacs\Input\formaldehyde.pdb -o outputName.gro -p
> Fatal error:
> Residue 'UNK' not found in residue topology database
pdb2gmx can only generate topologies from structural monomers it know
about - UNK isn't one of their names. Please read chapter 5 of the
GROMACS manual and try again.
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