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GROMACS 4.0.4 Installation Instructions  

Background information on the GROMACS can be found at http://www.gromacs.org

Prequisites

To run in parallel you will need an MPI.  In this document we are using :

lam-7.0.6-5.i386.rpm

libaio-0.3.103-3.i386.rpm

libaio-devel-0.3.103-3.i386.rpm

Download, Build, & Install

ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.0.4.tar.gz

tar xvfz gromacs-4.0.4.tar.gz

cd gromacs-4.0.4

./configure --prefix=/share/apps/gromacs-4.0.4 --enable-shared

make

make install

Once you have done this, do the following:

• Install the GROMACS Run Time Environment
• Run basic submission tests