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I am about to burst into tears now, since I am unable to get in touch with you guys. My problem is regarding the installation of gromacs 4.6.1, I followed exactly what was said in https://rohitnarurkar.wordpress.com/2013/08/26/gromacs-installation-for-linux-users/ I followed with success till the last one,but when I typed grompp, it showed error like Program grompp, VERSION 4.6.1 Source code file: /home/roshan2004/Downloads/gromacs-4.6.1/src/gmxlib/futil.c, line: 593

File input/output error: grompp.mdp For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors with some information about gromacs above, when I typed which mdrun Program mdrun, VERSION 4.6.1 Source code file: /home/roshan2004/Downloads/gromacs-4.6.1/src/gmxlib/gmxfio.c, line: 524

Can not open file: topol.tpr For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors So, clearly, there are some errors, Now, how to fix this ? **I even tried to install by using sudo apt-get install gromacs , but then when I typed mdrun, it gave same problem as above - Can not open file: topol.tpr ** Even after installing via sudo apt, it gave me following problem: /usr/bin/mdrun roshan2004@ubuntu:~$ mdrun GROMACS: gmx mdrun, VERSION 5.0.2

GROMACS is written by: Emile Apol Rossen Apostolov Herman J.C. Berendsen Par Bjelkmar
Aldert van Buuren Rudi van Drunen Anton Feenstra Sebastian Fritsch
Gerrit Groenhof Christoph Junghans Peter Kasson Carsten Kutzner
Per Larsson Justin A. Lemkul Magnus Lundborg Pieter Meulenhoff
Erik Marklund Teemu Murtola Szilard Pall Sander Pronk
Roland Schulz Alexey Shvetsov Michael Shirts Alfons Sijbers
Peter Tieleman Christian Wennberg Maarten Wolf
and the project leaders: Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands. Copyright (c) 2001-2014, The GROMACS development team at Uppsala University, Stockholm University and the Royal Institute of Technology, Sweden. check out http://www.gromacs.org for more information.

GROMACS is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

GROMACS: gmx mdrun, VERSION 5.0.2 Executable: /usr/bin/gmx Library dir: /usr/share/gromacs/top Command line: mdrun

Back Off! I just backed up md.log to ./#md.log.2#


Program mdrun, VERSION 5.0.2 Source code file: /build/buildd/gromacs-5.0.2/src/gromacs/fileio/gmxfio.c, line: 513

Can not open file: topol.tpr For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors

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  • The installation was finished with sudo apt-get install gromacs. Everything else is off topic here. :(
    – A.B.
    Aug 17, 2015 at 19:13
  • I used sudo apt-get install gromacs , but still it gave me same problem Aug 17, 2015 at 19:14
  • gromacs.org/Documentation/Tutorials
    – A.B.
    Aug 17, 2015 at 19:15
  • There is nothing in tutorials...I have already seen it Aug 17, 2015 at 19:18

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