[gmx-users] installation

[Justin A. Lemkul]

Quoting Rossella Noschese <noschese.rossella at gmail.com>:

> 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 $MANPATH seems to be right
> (/usr/local/gromacs/share/man:)
>
> When I type GMXRC in the shell it comes:
> [Rossella at topolone ~]$ 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?
>

You don't run GMXRC directly, you have to "source GMXRC," but since you've
already done that in your .bashrc, there's no need to do it again.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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