[gmx-users] Issues with my PDB file
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Apr 3 00:19:30 CEST 2009
Jacob Harvey wrote:
> Dear all,
>
> I appear to be having problems with my pdb file for gromacs. If someone
> could help me out that would be awesome. I enter the following code to
> run pdb2gmx:
>
> pdb2gmx -f test.pdb
>
> and then I select a force field. I have selected OPLS-AA/L all-atom
> force field (2001 aminoacid dihedrals). Once I select the force field I
> get the error
>
> "Fatal error:
> Residue '2' not found in residue topology database"
See
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database
Mark
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