You may currently run OOPSE at Purdue West Lafayette via gatekeeper.purdue.nwicgrid.org. The path to OOPSE is “$OSG_APP/oopse/oopse/bin/oopse” and you will also need to set “FORCE_PARAM_PATH=$OSG_APP/oopse/oopse/share/forceFields/”.
Here is a simple example of a Condor-G script for invoking OOPSE:
executable = $OSG_APP/oopse/oopse/bin/oopse transfer_executable = false globusscheduler = gatekeeper.purdue.nwicgrid.org/jobmanager-pbs universe = globus output = oopse.out log = oopse.log queue
For more details and examples on how to issue jobs via Condor-G or Globus is available on this site here.