Nuno Azoia wrote:
Hello!
Just like Manik Mayur suggested, the problem should be the links:
Making links may fix the problem of finding executables if that link
location is already in your path, but it won't fix your other
environment variables, or perhaps if you used configure --prefix.
Gromacs gives you the possibility to create links to /usr/bin directory
(ot something similar). If you didn't do that, one of the option is
trying to run the programs using the full path. Instead of using
pdb2gmx, try to use /usr/local/gromacs/bin/pdb2gmx. Replace
"/usr/local/gromacs" with the directory where you install gromacs. If
you didn't choose anything it probably is /usr/local/gromacs.
Call "source /path/to/GMXRC", then go do science.
Mark
I hope this can help
Nuno Azoia
On Tue, 2009-06-02 at 12:21 +0530, Samik Bhattacharya wrote:
hi,I
i am facing a lot of troubles in installing Gromacs in my Redhat
machine..I've followed all the instructions given in the manual as
well as in the website. ialso have installed fftw,its compiling with
no problem. . but whenever i run pdb2gmx or command lke that its
giving an error "command not found". a little help regarding this
matter will be very encouraging.
thankx
Shamik
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