[gmx-users] gromacs installation

roshanak starlight starlight.r77 at gmail.com
Mon Jul 4 21:02:48 CEST 2016


when i was installing , i typed this:  'source
/usr/local/gromacs/bin/GMXRC' after 'sudo make install' command . and then
gmx grompp -h .and i can see GMXRC in this adress in my laptop.is
everything right?
but why dose not know gmx and it get this massage that program grompp is
currently not installed ?

On Mon, Jul 4, 2016 at 9:27 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> On Mon, Jul 4, 2016 at 6:36 PM roshanak starlight <starlight.r77 at gmail.com
> >
> wrote:
>
> > Should I remove gromacs that I've installed?
> >
>
> Depends which one you want to use. If you don't know, you want 5.1.2.
>
>
> > i don't understand what this means : source
> > /your/installation/prefix/here/bin/GMXRC
> >
>
> GROMACS got installed somewhere. It installed a script named GMXRC that can
> teach your shell to use that version of GROMACS for as long as it runs. By
> default, GROMACS installs to /usr/local/gromacs so you'd use
>
> source /usr/local/gromacs/bin/GMXRC
>
> to say to your shell to use that one. But if you installed somewhere else,
> you need to adapt to refer to the right GMXRC.
>
> Mark
>
>
> > On Mon, Jul 4, 2016 at 5:03 PM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > You need to teach your shell which version of GROMACS you want to use,
> or
> > > it will do what it can from the existing environment. For example,
> > >
> > >
> >
> http://manual.gromacs.org/documentation/5.1.2/install-guide/index.html#getting-access-to-gromacs-after-installation
> > >
> > > Mark
> > >
> > > On Mon, Jul 4, 2016 at 2:05 PM roshanak starlight <
> > starlight.r77 at gmail.com
> > > >
> > > wrote:
> > >
> > > > hello
> > > > i try to install gromacs in my laptop with this cpu :AMD Dual-core
> > > > processor E-350 and Linux operating system ubuntu 14.04
> > > > i installed gromacs-5.1.2  and gromacs-5 but both of  these versions
> > get
> > > > error about grompp .and installation from software center
> > (gromacs-4.5.6)
> > > > get this error: illegal instruction core dumped .
> > > > Who knows what's the problem?
> > > >
> > > > one told me that :I think you would run gmx under admin or force
> UBUNTU
> > > to
> > > > set gromacs in your path
> > > > what shuld i do?
> > > > --
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> > > >
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