[gmx-users] Re: question about files
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jun 9 20:40:28 CEST 2006
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
> "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 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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