[gmx-users] gromacs installation

[Mark Abraham]

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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