[gmx-users] After installation help

[Mark Abraham]

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 
> '\''s/^\s*[0-9]\+\s*//;s/[;&|]\s*alert$//'\'')"'
>
> # 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
> fi
>
> #this should be an access to gromacs
> source . /usr/local/gromacs/bin/GMXRC

"source" and dot are synonyms... use only one, as instructed here: 
http://www.gromacs.org/Downloads/Installation_Instructions#Getting_access_to_GROMACS_after_installation. 
This "includes" the contents of that file into the rc file, and 
propagates the changes to the calling shell.

Mark

>
> # 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
> fi
>
> 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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