[gmx-users] Fatal error: Protein_A

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Apr 16 09:18:16 CEST 2007

Hi Giacomo,

In fact, it is an error from grompp, probably arisen from you changing
the name of a .itp file or of a molecule name in a .itp file, while it
is still listed in the .top file under [ molecules ].

But next time be more clear in your question and try to troubleshoot
yourself. What command did you give that gave the error (not
"launching an mdrun", where in fact you were running grompp) and
besides, what did you do leading to the error, where on previous
occassions you got none. You are a scientist, aren't you? And check
other sources of information, like the manual and the archive. You've
been a member of this list for a while now and should've come across
replies echoing this message a number of times.



On 4/16/07, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> gbastian at pasteur.fr wrote:
> > Dear Users,
> >
> > launching the MD I get this fatal error:
> >
> > Fatal error:
> > No such moleculetype Protein_A
> >
> > What does it mean?
> >
> > thanks,
> >
> > Giacomo Bastianelli
> >
> please go back to the tutorial. this is not an error message you get
> from mdrun.
> --
> 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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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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