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

2016-05-03 Thread Mark Abraham
Hi, 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.

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

2016-05-03 Thread Md. Imrul Reza Shishir
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