[gmx-users] Fatal error: Protein_A

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Mon Apr 16 09:04:49 CEST 2007

Check you topology file, the name under [ moleculetype ] ("Protein_A" in your case) shall be one of the entries under [ molecules ].

----- Original Message ----
From: David van der Spoel <spoel at xray.bmc.uu.se>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Monday, April 16, 2007 2:52:38 PM
Subject: Re: [gmx-users] Fatal error: Protein_A

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 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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