GMXLIB=/usr/local/packages/gmx/4.6.0-phase3/share/gromacs/top ;export GMXLIB;GMX_DIR=/usr/local/packages/gmx/4.6.0-phase3 ;export GMX_DIR;GMX_INCLUDE_OPTS=/usr/local/packages/gmx/4.6.0-phase3/include ;export GMX_INCLUDE_OPTS;LD_LIBRARY_PATH=/usr/local/packages/gmx/4.6.0-phase3/lib ; 

...und noch sehr viel mehr