[gmx-users] Advices needed!
Triguero, Luciano O
ltriguero at miami.edu
Fri Feb 23 22:33:07 CET 2007
I need your help in the following matter. How do I generate a .gro file from a pdb file where I added an oxygen atom to
one of the residue?
I get the following error message when I run pdb2gmx:
Program pdb2gmx, VERSION 3.3.1
Source code file: resall.c, line: 438
Residue '' not found in residue topology database
I appreciate any help here.
Dr. Luciano Triguero
College of Art and Science
Department of Chemistry
Cox Science Building
1301 Memorial Drive, Room 146
P.O Box 249118
Coral Gables, FL 33124-0431
From: gmx-users-bounces at gromacs.org on behalf of gmx-users-request at gromacs.org
Sent: Fri 2/23/2007 4:20 PM
To: Triguero, Luciano O
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