[gmx-users] Advices needed!

[David van der Spoel]

Triguero, Luciano O wrote:
> Hi Everyone,
> 
> 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
> 
> Fatal error:
> Residue '' not found in residue topology database
> ========================================
> 

you probably have made an error in the format of the file.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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