[gmx-users] installation

Carsten Kutzner ckutzne at gwdg.de
Wed Nov 24 16:12:31 CET 2010

On Nov 24, 2010, at 4:04 PM, Rossella Noschese wrote:

> Hi all, I'm trying to install gromacs.4.5.3 on fedora 13.
> I followed the instruction on the website, I completed my make install and this was the output:
>   GROMACS is installed under /usr/local/gromacs.
> Make sure to update your PATH and MANPATH to find the
> programs and unix manual pages, and possibly LD_LIBRARY_PATH
> or /etc/ld.so.conf if you are using dynamic libraries.
> Please run "make tests" now to verify your installation.
> If you want links to the executables in /usr/local/bin,
> you can issue "make links" now.
> Since I understood I could set my environment later, I directly complete my make links.
> Then I added in my .bashrc the line: 
> source /usr/local/gromacs/bin/GMXRC.bash
> and it was added to mi $PATH and also my $MANPATH seems to be right (/usr/local/gromacs/share/man:)
> When I type GMXRC in the shell it comes:
GMXRC is for setting the paths to your Gromacs executables. You
can do that by typing "source GMXRC", but this you have already done
in your bashrc, so everything is already set up and fine! You will find
all the Gromacs programs at your fingertips, e.g. "mdrun -h" prints
out help for the main MD program.


> [Rossella at topolone ~]$ GMXRC
> /usr/local/gromacs/bin/GMXRC: line 35: return: can only `return' from a function or sourced script
> /usr/local/gromacs/bin/GMXRC: line 44: CSH:: command not found
> /usr/local/gromacs/bin/GMXRC.csh: line 8: syntax error near unexpected token `setenv'
> /usr/local/gromacs/bin/GMXRC.csh: line 8: `if (! $?LD_LIBRARY_PATH) setenv LD_LIBRARY_PATH ""'
> Is there anyone that could help me?
> -- 
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