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

Justin Lemkul jalemkul at vt.edu
Mon Feb 4 21:32:17 CET 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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