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' -Justin > Thank you in advance > FabrÃcio Bracht > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
