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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