How to run MD simulations using gromacs in SUN GRID ENGINE (SGE)?

S. Xavier @S_Xavier

08 August 2017 1 5K Report

How to prepare the script file, namely job.sh while submitting it as

qsub job.sh to SGE using single processor?

How to set GROMACS environment in the script file?

Justin Lemkul

The details are specific to your cluster environment. Ask your system administrator for proper usage.

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