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bad_run.txt

Marcelo Depolo Poleto, 08/26/2015 12:08 AM

 
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GROMACS:    gmx dos, VERSION 5.0.6
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GROMACS is written by:
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Emile Apol         Rossen Apostolov   Herman J.C. Berendsen Par Bjelkmar       
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Aldert van Buuren  Rudi van Drunen    Anton Feenstra     Sebastian Fritsch  
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Gerrit Groenhof    Christoph Junghans Peter Kasson       Carsten Kutzner    
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Per Larsson        Justin A. Lemkul   Magnus Lundborg    Pieter Meulenhoff  
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Erik Marklund      Teemu Murtola      Szilard Pall       Sander Pronk       
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Roland Schulz      Alexey Shvetsov    Michael Shirts     Alfons Sijbers     
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Peter Tieleman     Christian Wennberg Maarten Wolf       
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and the project leaders:
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Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
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Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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Copyright (c) 2001-2014, The GROMACS development team at
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Uppsala University, Stockholm University and
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the Royal Institute of Technology, Sweden.
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check out http://www.gromacs.org for more information.
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GROMACS is free software; you can redistribute it and/or modify it
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under the terms of the GNU Lesser General Public License
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as published by the Free Software Foundation; either version 2.1
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of the License, or (at your option) any later version.
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GROMACS:      gmx dos, VERSION 5.0.6
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Executable:   /usr/local/gromacs_506/bin//gmx_506
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Library dir:  /usr/local/gromacs_506/share/gromacs/top
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Command line:
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  g_dos_506 -f ben.DOS.trr -s ben.DOS.tpr -dos dos.xvg -g dos.log -vacf vacf.xvg -mvacf mvacf.xvg
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Reading file ben.DOS.tpr, VERSION 5.0.1 (single precision)
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Reading file ben.DOS.tpr, VERSION 5.0.1 (single precision)
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Group     0 (         System) has 12000 elements
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Group     1 (          Other) has 12000 elements
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Group     2 (            BEN) has 12000 elements
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Select a group: Selected 2: 'BEN'
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-------------------------------------------------------
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Program g_dos_506, VERSION 5.0.6
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Source code file: /home/marcelodepolo/Downloads/BACKUP-softwares/gromacs-5.0.6/src/gromacs/gmxana/gmx_dos.c, line: 93
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Fatal error:
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Index contains atom numbers larger than the topology
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For more information and tips for troubleshooting, please check the GROMACS
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website at http://www.gromacs.org/Documentation/Errors
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