[gmx-users] Re: question about files

[esther]

Have you followed the Drug-Enzime complex tutorial found at http://www2.umdnj.edu/~kerrigje/structbio_II.htm ?

On Fri, 09 Jun 2006 20:40:28 +0200, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> Robson Pacheco wrote:
> > Dear Sirs
> > 
> > I am new in molecular simulations, and I am experiencing many problems
> > in generating topology files (GROMACS) for the systems I intend to
> > study. I used The Dundee PRODRG Server in order to generate the files
> > for a GROMACS run, however, the program pdb2gmx prompted an error
> > message:
> > "Residue 'DRG' not found in residue topology database"
> > I would like some help on this issue if possible.
> 
> Please ask questions on the mailing list.
> 
> > 
> > Thank you in advance
> 
> 
> -- 
> 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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