[Ilugc] Query on Gromacs Installation

[Gowriishankar Raju]

Dear friends,
I am using Ubuntu 9.10.
I want to work on Gromacs.
I have a query on installing the Gromacs on ubuntu.
How to choose the Gromacs version to be install in Ubuntu?
Is any special Gromacs versions available for ubuntu?
And what is the purpose to install FFTW?
Shall i use the latest version of FFTW to install?
Should the versions of FFTW and Gromacs be the same? (Like FFTW 3.2.2 V and
Gromacs 3.2.2V)

Please anybody help me to install as early as possible.
Waiting for your valuable suggestions.

Thanks in advance.

With Regards,
Gowriishankar Raju
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Re: [Ilugc] Query on Gromacs Installation

[Suraj Kumar]

On Thu, Mar 25, 2010 at 12:04 PM, Gowriishankar Raju
rgsanbioi...@gmail.com wrote:

 How to choose the Gromacs version to be install in Ubuntu?
 Is any special Gromacs versions available for ubuntu?
 And what is the purpose to install FFTW?
 Shall i use the latest version of FFTW to install?
 Should the versions of FFTW and Gromacs be the same? (Like FFTW 3.2.2 V and
 Gromacs 3.2.2V)

Ubuntu uses debian's APT package management system. Using apt, one
can pick and install any of the available packages in the configured
APT repositories.

gromacs seems to be available on 9.10 in universe repository (this
means, if not enabled, you'll have to enable the universe repo first).
Please see http://www.google.com/search?q=enable%20universe%20ubuntu

Once you've enabled universe and done sudo apt-get update, you should
be able to seamlessly install gromacs by just typing:

$ sudo apt-get install gromacs

This will pull all the needed dependencies and install everything for you.

HTH,

  -Suraj
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