[gmx-users] configure gromacs 4.6

[Justin Lemkul]

On 2/7/13 12:39 PM, jeela keel wrote:
> Hi All,
>
> Thank you for the help. But I am not sure how to use cmake??  Do I need to
> make  a new directory something like the following, or just in the gromacs
> directory?
>
> mkdir cmake
> cd cmake
>
> cmake -DCMAKE_PREFIX_PATH=/home/jeela/local/gromacs-4.6
> --program-suffix=-4.6 --with-fft=fftw3
>

Most of these options are incorrect.  The autotools and CMake build processes 
are very different.  Please refer to the website for detailed instructions.

http://www.gromacs.org/Documentation/Installation_Instructions#4._Doing_a_build_of_GROMACS

-Justin

-- 
========================================

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

========================================