And this is what I found there:
see if there is a different name being used for the residue in the residue
database and rename as appropriate,
Mark Abraham <[EMAIL PROTECTED]> wrote: Sagittarius wrote:
> Dear Gromacs users,
>
> Could you please help me to find a Residue abbreviation list web site.
> I need to replace UNK below with something meaningful.
>
> formaldehyde.pdb looks like this:
> COMPND UNNAMED
> REMARK 1 PDB to MMOD atom-numbering translation table; the mmod numbers
> REMARK 1 pertain to the .dat file from which this file was created,
> REMARK 1 not to one created from this file:
> REMARK 1 PDB: 1 2 3 4
> REMARK 1 MMOD: 1 2 3 4 /
> HETATM 1 C01 UNK 0 0.000 0.302 0.000 0.00 0.00 0
> HETATM 2 O02 UNK 0 0.000 1.510 0.000 0.00 0.00 0
> HETATM 3 H03 UNK 0 -0.960 -0.262 0.000 0.00 0.00 0
> HETATM 4 H04 UNK 0 0.960 -0.262 0.000 0.00 0.00 0
> CONECT 1 3 4
> CONECT 1 2
> CONECT 1 2
> CONECT 2 1
> CONECT 2 1
> CONECT 3 1
> CONECT 4 1
> END
Um no, you don't need a residue abbreviation list. See
http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database
Mark
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