The ifd Command

You can use the ifd command to launch an Induced Fit Docking job from the command line:

ifd [options] jobname.inp

The job settings are specified on the command line. You can include them in the input file, but the options specified on the command line take precedence. You must run this script in the directory in which jobname.inp resides. The command supports the standard Job Control options—see Running Jobs From the Command Line. For information on the command options, see ifd Command Help or run the command ifd -h. The format of the input file is described in the next section.