[gmx-users] Gromacs in UBUNTU

[Sanchaita Rajkhowa]

Dear all

I followed the same steps to install Gromacs - 5.0.4 in ubuntu - 14.04
(64bit) and seems like things get installed but I am not able to get "gmx
solvant" command.

I have searched in my installation dir /soft/gmx504/bin/ and also "source
/soft/gmx504/bin/GMXRC.bash" in my bashrc file.

Kindly help.

with regards
Sanchaita

On 14 May 2015 at 08:54, James Lord <jjamesgreen110 at gmail.com> wrote:

> Hi Saeed,
> You don't necessarily need to install it first from Ubuntu software center
> and then update it. you can directly get the latest version and follow the
> instruction on gromacs website.
> Quick and dirty installation
> <
> http://www.gromacs.org/Documentation/Installation_Instructions_5.0?highlight=command#TOC
> >
>
>    1. Get the latest version of your C and C++ compilers.
>    2. Check that you have CMake version 2.8.8 or later.
>    3. Get and unpack the latest version of the GROMACS tarball.
>    4. Make a separate build directory and change to it.
>    5. Run cmake with the path to the source as an argument
>    6. Run make, make check, and make install
>
> Or, as a sequence of commands to execute:
>
> tar xfz gromacs-5.0.5.tar.gz
> cd gromacs-5.0.5
> mkdir build
> cd build
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> make
> make check
> sudo make install
> source /usr/local/gromacs/bin/GMXRC
>
> Cheers
>
> James
>
>
> On Thu, May 14, 2015 at 1:53 PM, saeed poorasad <s_poorasad at yahoo.com>
> wrote:
>
> > Dear Gromacs users ,
> > Greetings .I want to install Gromacs with using of UBUNTU software center
> > .  Now I want to know about updating process of this version of gromacs
> > . Does it update automatically with Ubuntu ?
> > Thanks for your attention .Best,Saeed.
> > --
> > Gromacs Users mailing list
> >
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> >
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