[gmx-users] Gromacs in UBUNTU

[Mark Abraham]

Hi,

You may need to give your normal user account read permission to that
directory.

gmx solvant doesn't exist, of course, but I assume that was a typo! :-)

Mark

On Mon, May 18, 2015 at 6:58 AM Sanchaita Rajkhowa <srajkhowa18 at gmail.com>
wrote:

> 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
> > >
> > > * Please search the archive at
> > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > > posting!
> > >
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> > >
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> > > send a mail to gmx-users-request at gromacs.org.
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
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> >
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> >
> --
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>
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> posting!
>
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>
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>