[gmx-users] Fatal error: Protein_A

[leafyoung81-group at yahoo.com]

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.
________________________________________________________________________
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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