GROMACS: Fast, Free and Flexible MD
 
 
 
How do I compile and install the GROMACS package?
Friday, 09 September 2005
That's easy - we provide step-by-step instructions for you here.
If you're impatient you could just unpack the distribution and try

  ./configure
make
make install
 

The configure script will complain if it doesn't find FFTW, but you will be told what to do.

This setup is new for version 3.1, so there might be some bugs we've missed, though. Don't hesitate to post questions to the mailing lists if you have problems
 
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