[gmx-users] gromacs-4.6.tar.gz installation question

[Justin Lemkul]

On 2/4/13 3:30 PM, jeela keel wrote:
> *Dear All,
>
> I am trying to install gromacs, I dowloaded
> **gromacs-4.6.tar.gz<ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz>and
> following the instruction in the following website
> http://www.gromacs.org/Documentation/Installation_Instructions#4._Doing_a_build_of_GROMACS
>
> I read the instraction but I am still kind of confused. Do I need to
> download both FFTW and CMake or just choose one of them for the gromacs
> installation?

Both.  FFTW is used for Fourier transforms.  CMake is the compiler that builds 
the software.

> Also can I use FTTW
> **fftw-2.1.5.tar.gz<ftp://ftp.fftw.org/pub/fftw/fftw-2.1.5.tar.gz>instead
> of
> **fftw-3.3.3.tar.gz <ftp://ftp.fftw.org/pub/fftw/fftw-3.3.3.tar.gz> becuase
> I also want to download Lammps in my computer that can only use fftw 2.1.5
>

We always advise using the newest version.  There is no problem at all in 
maintaining different versions in different locations.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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