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 <[email protected] <mailto:[email protected]>>
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 <[email protected]
<mailto:[email protected]> <mailto:[email protected]
<mailto:[email protected]>>>
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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