[gmx-users] After installation help
Mark.Abraham at anu.edu.au
Sun Jan 1 01:36:53 CET 2012
On 31/12/2011 11:58 PM, Willian Pereira Felix wrote:
> Hello buddies,
> I'm a very beginner in gromacs and I just got a trick but simple
> situation (for you :D). After the installation of my gromacs on ubuntu
> 11.10 I opened the .bashrc file and put the following code in the
> following place as instructed by installation session on the webpage:
> .BASHRC file
> # Add an "alert" alias for long running commands. Use like so:
> # sleep 10; alert
> alias alert='notify-send --urgency=low -i "$([ $? = 0 ] && echo
> terminal || echo error)" "$(history|tail -n1|sed -e
> # Alias definitions.
> # You may want to put all your additions into a separate file like
> # ~/.bash_aliases, instead of adding them here directly.
> # See /usr/share/doc/bash-doc/examples in the bash-doc package.
> if [ -f ~/.bash_aliases ]; then
> . ~/.bash_aliases
> #this should be an access to gromacs
> source . /usr/local/gromacs/bin/GMXRC
"source" and dot are synonyms... use only one, as instructed here:
This "includes" the contents of that file into the rc file, and
propagates the changes to the calling shell.
> # enable programmable completion features (you don't need to enable
> # this, if it's already enabled in /etc/bash.bashrc and /etc/profile
> # sources /etc/bash.bashrc).
> if [ -f /etc/bash_completion ] && ! shopt -oq posix; then
> . /etc/bash_completion
> I already tried using . /usr/local/gromacs/GMXRC in the begin and also
> just /usr/local/gromacs/GMXRC (without the point) and even thereafter
> I couldn't run the program. Unfortunately I really don't know what to
> do I've already read the final installation instructions many times
> and tried to google something related but I had no luck.
> Please someone can provide me some light on this issue??
> Thanks all of you.
> Willian Felix
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