Script gromacs

From Wiki
Revision as of 14:06, 13 September 2010 by 10.0.7.14 (talk) (New page: ---- 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 namefil...)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search


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

Retrieved from "http://usrc.iciq.cat/wiki/index.php?title=Script_gromacs&oldid=4212"