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

[Tsjerk Wassenaar]

Probably I wasn't the only one who got this in a personal mail box,
but I'll forward it anyway. And, no, I'm not a private tutor, unless
I've explicitly indicated otherwise.

Tsjerk


---------- 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






-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
Groningen Institute for Biomolecular Research and Biotechnology /
University of Groningen
The Netherlands