[gmx-users] Installing & uninstalling of gromacs

[Spring buds]

On Tue, Jan 24, 2012 at 11:49 AM, lina <lina.lastname at gmail.com> wrote:

> On Tue, Jan 24, 2012 at 11:42 AM, Spring buds <winterhot82 at gmail.com>
> wrote:
> > Hi lina,
> >
> > Thanks for reply. could you tell me how to remove completly the gromacs
> > installation?
>
> Which commands have you issued?
>

I used "rm -rf /usr/local/gromacs" but still I can see the gromacs
files in /usr/local/bin. How to remove here?


> try make uninstall in the directory where you used make install
> before. like Path_to//gromacs-4.5.5
> and then make distclean
> for a totally clear re-installation, removed the /gromac-4.5.5 and
>
re-untar the gromacs-4.5.5.tar.gz
>
> before that, further check the lib and bin have totally removed or not.
>

Sure. I will do now

>
> Which OS you are working on?
>

Linux (CentOS 5.7)

Thanks a lot.

>
> >
> >
> > 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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