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On 31/12/2011 11:58 PM, Willian Pereira Felix wrote:
<blockquote
cite="mid:CAJCz0ZAK4vRjc2KYDNem6Sd+8gd_g5KEojRNXn6k=cf5OQK2AA@mail.gmail.com"
type="cite">Hello buddies,
<div><br>
</div>
<div>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:</div>
<div><br>
</div>
<div>
<div>.BASHRC file</div>
<div># Add an "alert" alias for long running commands. Use like
so:</div>
<div># sleep 10; alert</div>
<div>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$//'\'')"'</div>
<div><br>
</div>
<div># Alias definitions.</div>
<div># You may want to put all your additions into a separate
file like</div>
<div># ~/.bash_aliases, instead of adding them here directly.</div>
<div># See /usr/share/doc/bash-doc/examples in the bash-doc
package.</div>
<div><br>
</div>
<div>if [ -f ~/.bash_aliases ]; then</div>
<div> . ~/.bash_aliases</div>
<div>fi</div>
<div><br>
</div>
<div>#this should be an access to gromacs</div>
<div><font style="background-color:rgb(0,0,0)" color="#ffff33">source
. /usr/local/gromacs/bin/GMXRC</font></div>
</div>
</blockquote>
<br>
"source" and dot are synonyms... use only one, as instructed here: <a
href="http://www.gromacs.org/Downloads/Installation_Instructions#Getting_access_to_GROMACS_after_installation">http://www.gromacs.org/Downloads/Installation_Instructions#Getting_access_to_GROMACS_after_installation</a>.
This "includes" the contents of that file into the rc file, and
propagates the changes to the calling shell.<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAJCz0ZAK4vRjc2KYDNem6Sd+8gd_g5KEojRNXn6k=cf5OQK2AA@mail.gmail.com"
type="cite">
<div>
<div><br>
</div>
<div># enable programmable completion features (you don't need
to enable</div>
<div># this, if it's already enabled in /etc/bash.bashrc and
/etc/profile</div>
<div># sources /etc/bash.bashrc).</div>
<div>
if [ -f /etc/bash_completion ] && ! shopt -oq posix;
then</div>
<div> . /etc/bash_completion</div>
<div>fi</div>
</div>
<div><br>
</div>
<div>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.</div>
<div><br>
</div>
<div>Please someone can provide me some light on this issue??</div>
<div><br>
</div>
<div>Thanks all of you.</div>
<div><br>
</div>
<div>Willian Felix </div>
<br>
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<br>
</blockquote>
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