[gmx-users] Installing & uninstalling of gromacs

[Justin A. Lemkul]

Spring buds wrote:
> 
> 
> On Tue, Jan 24, 2012 at 11:49 AM, lina <lina.lastname at gmail.com 
> <mailto:lina.lastname at gmail.com>> wrote:
> 
>     On Tue, Jan 24, 2012 at 11:42 AM, Spring buds <winterhot82 at gmail.com
>     <mailto: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?
>  

Removing files in /usr/local/gromacs has no bearing on the contents of 
/usr/local/bin.  If you did 'make links' at the end of the installation, you 
will have dead links in /usr/local/bin that need to be removed, as well.

-Justin

> 
> 
>     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
>     <mailto:lina.lastname at gmail.com>> wrote:
>      >>
>      >> On 24 Jan, 2012, at 1:53, Spring buds <winterhot82 at gmail.com
>     <mailto: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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-- 
========================================

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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