hello:
I found that the REMD is really time comsuing MD and it will over the
cluster walltime limitation. I am wondering, how to restart the jobs
after it stopped by the walltime limitation? will simple add -cpi at the
end of command works?
mpiexec -n 160 /opt/gromacs/4.5.5/bin/mdrun -npme 6 -nosum -dlb yes -v
-s remd_.tpr -multi 16 -replex 1000 -cpi
thank you
Albert
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