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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