[gmx-users] installation

Rossella Noschese noschese.rossella at gmail.com
Wed Nov 24 16:25:56 CET 2010


ok, but when I type luck it says command not found, where's my mistake?

2010/11/24 Justin A. Lemkul <jalemkul at vt.edu>

> 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
>
> ========================================
>
> 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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