[gmx-users] Installing & uninstalling of gromacs

Spring buds winterhot82 at gmail.com
Tue Jan 24 04:42:38 CET 2012


Hi lina,

Thanks for reply. could you tell me how to remove completly the gromacs
installation?

On Tue, Jan 24, 2012 at 2:31 AM, lina <lina.lastname at gmail.com> wrote:

> On 24 Jan, 2012, at 1:53, Spring buds <winterhot82 at gmail.com> wrote:
>
> > Dear Gromacs users,
> >
> > Greetings!!!
> >
> > I am very new users and I am trying to install grmacs 4.5.5 or 3.3.3 for
> past four days. But still I am not able to. So I would like to ask some
> questions which are below.
> >
> >
> > 1.My laptop is a dual core, which means two processors?.So should I need
> to install MPI?
> >
> --enable threads
>
> > 2.I installed gromacs 4.5.5 with mistakes. To remove installing, I used
> the "which gromacs" and it shows as "/usr/bin/which: no mdrun in
> (/usr/kerberos/bin:/usr/local/bin:/usr/bin:/bin:/usr/X11R6/bin:/home/Malai/bin)".
> However, I used "rm -rf /usr/local/gromacs" to remove installing I still
> can see tha gromacs files with red background in "/usr/local/bin". Could
> you tell me I removed the gromacs installing?
>
> You have not.
>
> >
> > 3.Could you please tell me the very simple steps for installatios, since
> I am a novice.
>
> http://www.gromacs.org/Downloads/Installation_Instructions
>
> >
> > Many thanks in advance for your time and help.
> >
> > Huang Malai
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