[gmx-users] setting the gromacs 4.6.1 path

[Mark Abraham]

On Tue, Mar 12, 2013 at 11:14 AM, 라지브간디 <rajiv at kaist.ac.kr> wrote:

> dear gmx.
>
>
> i am having a problem of setting the path as mentioned in gromacs manual
> 4.6.1 version.
>
>
> I used
>
>
> source /usr/local/gromacs/bin/GMXRC
>
>
> bash: goto: command not found..
>

What is your terminal? What is its version? You might need to update that
if it's truly ancient. Otherwise, your bash shell is probably erroneously
setting the variable "shell", which it should not do. This foils the
GROMACS detection of which shell you are running. If you can't fix that,
you should source whichever of GMXRC.csh, GMXRC.bash or GMXRC.ksh is
applicable.

when i use
>
>
> echo "source /usr/local/gromacs/bin/GMXRC" >> ~/.bash_profile
>
>
> it work on that terminal only. cant access the gromacs from other
> terminal. Could you tell me what is the problem of ? Thanks
>

Source only ever works on the shell in which it is run. Setting up your
profile to source automatically solves the problem for each new shell, and
not any existing ones.

Mark