[gmx-users] After installation help

[Willian Pereira Felix]

Hey Mark, thanks for your help. It was extremely useful, now it's solved
and running XD.

Nice year friend :)

Willian Felix

On Sat, Dec 31, 2011 at 10:36 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

>  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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