*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. phone:+91-(0)-9888847223
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
