[gmx-users] Prodrg

[Daan van Aalten]

Hi Rodrigo

If you read the FAQ on the server all is explained. Sounds to me like you
are not using the right combination of .top and .gro files

cheers

Daan

On Thu, 13 Oct 2005, Rodrigo Reston wrote:

> Hi. I used Prodrg server to create the coordinates and
> topology for a molecule. None of the .top files
> available at the server, after I make the run, work. I
> cannot create a .top using x2top because there's a
> problem in the .gro file. I don't know how to use the
> .itp file. And I cannot generate a .top file using the
> .pdb file because Gromacs does not recognize the "DRG"
> residue!
> So, I would very much like to know HOW to solve the
> "DRG" residue problem and HOW I was supposed to use
> the .itp file. Any other suggestions will be very much
> appreciated too!
> Thanks!
> Rodrigo S. Reston, BSc.
> UFMG, Brazil.
>
>
>
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##############################################################################
Dr. Daan van Aalten                    Wellcome Trust Senior Fellow / Reader
Wellcome Trust Biocentre, Dow Street   TEL: ++ 44 1382 344979
Div. of Biol.Chem. & Mol.Microbiology  FAX: ++ 44 1382 345764
School of Life Sciences                E-mail: see WWW page
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk