[gmx-users] error in topology file generation

Archana Chavan archananiper at gmail.com
Thu May 17 10:50:28 CEST 2007

*hello everybody,*
*i am new user to GROMACS,*
*i want to perform simulations on docked protein ligand complex,*
*During the conversion of the PDB file i came to such a problem:
**just before the end  of conversion the program pdb2gmx.exe told that my
**PDB file compound is not included into Gromacs residue topology database.
**Directly as it says:
**" Fatal error: Residue ''M_3' not found in residue topology database
"*(which is docked ligand in the protein)
*Woud you be so glad to tell me how can I resolve this problem? *

looking forward to your help

tahnks in advance.

Archana Chavan
MS (Pharm)Pharmacoinformatics
National Institute of Pharmaceutical Education and Research (NIPER)
Mohali-160 062
Punjab, India.
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