[gmx-users] Re: installation of gromacs (Dommert Florian)
dommert at icp.uni-stuttgart.de
Tue Mar 15 10:58:27 CET 2011
On Tue, 2011-03-15 at 05:53 +0100, Thomas Koller wrote:
> I have installed Gromacs but if I want to open another terminal and
> run another simulation it does not work.
You have to make sure, that the binaries and libraries installed in
$GROMACS/bin and $GROMACS/lib are found by the terminal, which can be
achieved by sourcing the corresponding GMXRC file.
Actually it should work like
However I experienced a hanging terminal for this procedure, but if you
choose the script corresponding to your type of console (on Ubuntu you
will usually use bash), it should work. So just put the line
in your .bashrc (do not forget the "." at the beginning of the line),
open a new terminal and type:
This should give you:
If it does, everything is fine and you can have fun with Gromacs,
otherwise post your output, that you can get help.
Dipl. - Phys.
Institute for Computational Physics
EMail: dommert at icp.uni-stuttgart.de
Tel.: +49 - (0)711 - 68563613
Fax.: +49 - (0)711 - 68563658
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