[gmx-users] conversion to .gro

[Oliver Beckstein]

> I tried to convert a .pdb file of my molecule to a .gro file with:
> pdb2gmx  -f  81.pdb  -o  81.gro,
> but it dit not work:

Perhaps you wanted to use

 editconf -f PDB -o GRO

?

Oliver



>
> Fatal error: Residue '2' not found in residue topology database
>
> Any ideas?
>
> Thanks,
> Anna
>
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--
Oliver Beckstein * oliver at biop.ox.ac.uk
 http://sansom.biop.ox.ac.uk/oliver/