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

Mark Abraham mark.j.abraham at gmail.com
Tue May 3 11:15:20 CEST 2016


Usually this means you've edited the PDB file and broken its fixed-column
format, so that the code only sees the "LCB" part of your intended residue
name. You can use four columns starting from the one you can see in your
original file, but you can't start the name from a column to the left.


On Tue, May 3, 2016 at 11:09 AM Md. Imrul Reza Shishir <
imrul.reza.shishir at gmail.com> wrote:

> Dear All
> I have a structure file(.pdb) of single cellulose chain with Residue type
> GLCB (beta-D-glucopyranosyl). I try to run the structure file with pdb2gmx
> command and found this error.
> "Fatal error: Residue 'LCB' not found in residue topology database".
> I am not sure why my residue GLCB is show there as LCB. And how I solve
> this.
> --
> *Md Imrul Reza Shishir*
> Master Student
> *Inha University*
> *CRC for NanoCellulose Future Composites*
> 36 Getbeol-ro, Yeonsu-gu
> Incheon 21999
> South Korea
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