[gmx-users] Cofactor - Coenzyme - Enzyme Complex

[Daan Virtual]

Hi Tanos

Just checking - but did you change the name in the input PDB file *AND*
the topology file?

Daan


On Thu, 27 Feb 2003, [iso-8859-1] Tanos C. C. França wrote:

> Hi Folks !!!!!!!!
> I´m trying to build a Coenzyme – Cofactor - Enzyme complex using the
> “GROMACS Tutorial for Drug – Enzyme complex”
> As I wish to dock two different molecules to my enzyme´s active site, I
> named then DRG (as in the tutorial) and COF. But when I run grompp, the
> program gives me the message: “Fatal error:  not such moleculetype
> COF”. I tryed several other names to the second molecule but grompp
> always halted. So, I would like to know which moleculetype name should I
> use that GROMACS will recognize in this case.
>
> Thanks a lot in advance.
> Tanos C. C. Franca.
> IME – Rio de Janeiro - RJ
>
>
> ---
> Outgoing mail is certified Virus Free.
> Checked by AVG anti-virus system (http://www.grisoft.com).
> Version: 6.0.459 / Virus Database: 258 - Release Date: 25/02/2003
>
>


##############################################################################

Dr. Daan van Aalten                    Wellcome Trust CDA Fellow
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: dava at davapc1.bioch.dundee.ac.uk
Univ. of Dundee, Dundee DD1 5EH, UK    WWW: http://davapc1.bioch.dundee.ac.uk

        O     C           O     C         Visit the PRODRG server to take
        "     |           "     |         the stress out of your topologies!
  N--c--C--N--C--C--N--C--C--N--C--C--O
     |           "     |           "      http://davapc1.bioch.dundee.ac.uk/
     C-C-O       O   C-C-C         O             programs/prodrg/prodrg.html
       "
       O