[gmx-users] configure gromacs 4.6

Justin Lemkul jalemkul at vt.edu
Thu Feb 7 18:42:46 CET 2013

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.




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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