GROMACS CHARMM36 Cellulose Builder

[Isabella Stewart]

Hello,

Similarly to a previous student, I am experiencing trouble with pdb2gmx from the pdb generated by cellulose builder. I am utilizing CHARMM36 and it recognizes the residue BGLC, but it gives an error that atom type O1 which is described in the residue doesn't exist for certain BGLC residues. 

In my case, I built ./cellulose-builder 10 2 5 which does contain O1 in the pdb, but not for all residues. 

Can someone advise on how I can use GROMACS / what force field to use? I want a force field that can also handle proteins. 

Thank you

Bella 

[Isabella Stewart]

(here is the error by the way) 

FATAL ERROR 

Residue 1 named BGLC of a molecule in the input file was mapped

to an entry in the topology database, but the atom O1 used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.