[gmx-users] Residue 'COA' not found in residue topology database

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Dec 30 10:35:42 CET 2007

Hi Hinge,

pdb2gmx is intended to convert protein/nucleic acid chains into topologies.
It's not a magical program to convert whatever compound into a topology.
Just what it says, there's no residue COA in the database for the force
field you're trying to use. Check another force field or try to find
parameters in literature or on the web (but do mind to check them!).



On Dec 30, 2007 10:21 AM, vijay kumar hinge vijay <vijaybioinfo2 at gmail.com>

> Hello users,
> iam using gromacs 3.3 version on linux platform.my protein contain 86
> residues and  ligand molecule (palmityl coA)
> i got the  error while running pdb2gmx with force field gromacs96 43a1.itis saying that
> Fatal error:
> Residue 'COA' not found in residue topology database
> i wil be very thank full to you if any one can give the sugesstion
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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