David van der Spoel
spoel at xray.bmc.uu.se
Tue Mar 20 07:25:22 CET 2007
Jason de Joannis wrote:
> Hi, I want to call functions in the GSL (GNU Scientific Library) from
> Gromacs. I am looking to copy the method used for MPI and FFTW, but
> still a little confused and could use some help.
In 3.3.1 you can compile gromacs with the gsl, as a matter of fact it
will be linked in if it is found on your computer. See the program
src/tools/gmx_kinetics where it is currently used (if the library is found).
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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