Justin A. Lemkul wrote:
Quoting fabracht sdf <[EMAIL PROTECTED]>:
Hello friends from user's list. First of all, thank you very much for all
the help with my previous problems. They allowed me to finally install
gromacs with mpi support. But now I have another problem.
After the installation I tryed to run the test and it failed all the way.
Then, when I typed grompp, or mdrun, or any other gromacs's command, i get
the following line
"[EMAIL PROTECTED]:~/Desktop/gromacs-3.3.2> grompp
bash: grompp: command not found"
The installation process told me:
"GROMACS is installed under /usr/local/gromacs."
And i checked, it is actually there. So, maybe I should do something extra
in order to use gromacs, but honestly i haven't got a clue on what to do. I
tryed to search on the archives but it seems that no one has ever had a
problem like this.
By default, your Linux system will look for executables in pre-defined PATHs
(/usr/bin, /usr/local/bin, etc), so you need to tell your computer where to
find your Gromacs installation. To see where your computer is searching for
executables, try 'echo $PATH'
You would have to specify a PATH for Gromacs in your .bashrc file like:
PATH=$PATH:/usr/local/gromacs/bin
Then try 'which grompp'
This is all true, but the best solution can be found here
http://wiki.gromacs.org/index.php/Installation
Mark
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