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

Mark Abraham Mark.Abraham at anu.edu.au
Sun Dec 30 11:14:23 CET 2007


vijay kumar hinge vijay wrote:
> 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.it <http://43a1.it> is saying that
> Fatal error:
> Residue 'COA' not found in residue topology database

See 
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database, 
which is much along the lines of what Tsjerk has already said.

Mark



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