Article ID: 1571 - Last Modified: August 19, 2011
I would like to run a series of IFD jobs sequentially. Is there a way to do this, so that each IFD job starts after the previous one has finished?
The easiest way to do this is to write a simple shell script to run all the jobs, using the -WAIT option in each command. This option ensures that the next command is not run until the current command finishes. For instance, you could create a shell script like the following and run it from the command line.
#!/bin/sh $SCHRODINGER/ifd job_1.inp -WAIT $SCHRODINGER/ifd job_2.inp -WAIT $SCHRODINGER/ifd job_3.inp -WAIT
Keywords: induced fit docking
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