Now I get this again: checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3).
Please follow my way: i) I unpacke fftw and gromacs to two folders. iii) I go the the fftw folder and make: - ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-shared --enable-float - make -j - make install - export CPPFLAGS="-I/home/local/fftw/include" - export LDFLAGS="-L/home/local/fftw/lib" iii) Then I go (cd) to the folder gromacs-4.0.7 - ./configure --prefix=$HOME/local/gromacs - Now I get the error writen above. Is my way wrong, do I have to insert the fftw folder into the gromacs folder, is the sequence wrong? I wish I can have access soon. :( Thomas -- Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists