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

[Dallas Warren]

http://www.gromacs.org/Documentation/Errors#Residue_%27XXX%27_not_found_in_residue_topology_database

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9909 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 

> ---------- Forwarded message ----------
> From: AJANI HARESH <ajani_haresh at yahoo.co.in>
> Date: Thu, Sep 16, 2010 at 2:00 PM
> Subject: Residue 'MOL' not found in residue topology database
> To: tsjerkw at gmail.com
> 
> 
> I am using gromacs 4.0.
> Currently I am working on one prtein structure and ligand.
> 
> when I use the following command:"pdb2gmx -f 1GT.pdb -p gr.top -o
> gr.gro"
> > There's a fatal error:
> > Residue 'MOL' not found in residue topology database
> Fatal error: Residue '....' not found in residue topology database "
> 
>  Woud you be so glad to tell me how can I resolve this problem?
> 
>                                               Thank you for advice
> 
> ---------------------
> HARESH AJANI
> 09925522578
> ajani_haresh at yahoo.co.in