Script gromacs

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export LD_LIBRARY_PATH=/usr/local/lib2

/usr/local/gromacs/i686-pc-linux-gnu/bin/mdrun -v -s namefile.tpr -o namefile_traj.trr -x namefile_traj.xtc -c namefile_final.gro -e namefile_ener.edr &> errMD1