Running Simulations
I tried to run the I-TASSER package on my university cluster. I fixed small niggles (aka $JAVA_HOME) with the downloaded files, and updated MUSTER as mentioned in the previous thread. The simulation files were created, but I couldn't find them on the cluster queue. Tried searching through all the output files and logs, but couldn't find anything wrong, but the simulations were not running.
I started looking into theREADME and runITASSER.pl file. I mentions that the cluster needs to support "/opt/torque/bin/qsub and /opt/torque/bin/qstat", but I cannot move those files in the university cluster. So I changed lines 1432 (/opt/torque/bin/qsub -> qsub) and 1460 (/opt/torque/bin/qstat -> qstat). Simulations are in the queue, and seems like things are working now.
You can also replace the qsub & qstat locations with paths you get with `which qsub` and `which qstat`
Cheers
Gokul