[gmx-users] Editing the log in files [HN]
Justin A. Lemkul
jalemkul at vt.edu
Tue Dec 16 19:45:54 CET 2008
Hideya Nakamura wrote:
> Thank you Justin for your prompt response.
>
> I installed Gromacs in the home directory of Cygwin.
Is that your home directory, or some Cygwin-related home? I do not have my
Windows partition up in front of me; I just remember that Cygwin's organization
is a bit convoluted.
> Actually, I can't fine the bin subdirectory in the gromacs directory.
> (I also can't find GMXRC anywhere.)
Did you try "which luck" as I suggested before? That should indicate where the
executables were installed.
> Does this mean Gromacs cannot be installed correctly?
Not necessarily.
> Do I have to install gromacs again?
What were you *exact* commands through the installation process? If you did
indeed follow the Cygwin HowTo on the wiki, Gromacs should have been installed
in /usr/local/gromacs. I doubt that your installation is broken, but you'll
have serious headaches if you don't familiarize yourself with the locations of
executables, libraries, and force field files.
-Justin
>
> Hideya
>
>
> 2008/12/16 Justin A. Lemkul <jalemkul at vt.edu <mailto:jalemkul at vt.edu>>
>
>
>
> Hideya Nakamura wrote:
>
> Hello Mark and Justin,
>
> Thank you very much for your responce.
> I edited the .bashrc file which is in my home directory.
> I opened .bashrc file using vi and added "source
> /usr/local/gromacs/bin/GMXRC" at the last line.
> And then, I started Cygwin again. However, an error mesage
> (bash: /usr/local/gromacs/bin/GMXRC: No such file or directory)
> is showed when I start Cygwin. In addition, when I enter the
> command "luck" for gromacs, I can't see the correct responce
> (i.e. "Whatever Happened to Pong ?" (F. Black))
> Could you please tell me your suggestion?
> I am using Cygwin on Windows Vista Enterprise.
>
>
> Where did you install Gromacs? The GMXRC script should be in the
> bin subdirectory of whatever prefix you specified during
> configuration. If your environment is finding luck, then try "which
> luck" to locate the PATH to Gromacs.
>
> -Justin
>
>
> Hideya
>
>
> 2008/12/15 Mark Abraham <Mark.Abraham at anu.edu.au
> <mailto:Mark.Abraham at anu.edu.au> <mailto:Mark.Abraham at anu.edu.au
> <mailto:Mark.Abraham at anu.edu.au>>>
>
>
> Hideya Nakamura wrote:
>
> Hello,
>
> I try to install GROMACS using Cygwin on my Windows PC.
>
> I have already installed fftw, and then I will install
> GROMACS
> based on a instruction on wiki.gromacs.org
> <http://wiki.gromacs.org>
> <http://wiki.gromacs.org> <http://wiki.gromacs.org/>
> (http://wiki.gromacs.org/index.php/Cygwin_HOWTO).
>
>
> In this instruction, there is a description "#6 Edit your
> login
> files to source /usr/local/gromacs/bin/GMXRC
>
> (or manually add /usr/local/gromacs/man to the MANPATH
> and check
> that /usr/local/bin is in the PATH)."
>
> However, I can't edit my log in files. Could someone give
> me how
> to edit my log in files by using Cygwin?
>
>
> Probably you're using bash shell, so in your home directory, edit
> the file .bashrc and add the line "source
> /usr/local/gromacs/bin/GMXRC" (or as appropriate for wherever you
> installed GROMACS), and then open a new shell. This way the
> GROMACS
> environment will always be configured right for you.
>
> Mark
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> --
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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