macromodel Command Help

Command: $SCHRODINGER/macromodel

MacroModel Startup Script

Usage: $SCHRODINGER/macromodel [options] <inputfile>
  <inputfile> can be a *.com file or a simplified MacroModel input file.

Options:
  -doc               - Print keyword information
  -h or -help        - Print this message and exit.
  -v                 - Display the version number and exit.
  -write_inp         - Write the Bmin input (.com) file, but do not run the job

  -NJOBS <n>         - Divide the overall job into this many subjobs
                         More than 1 forces a driver job to be submitted.
  -JOBCTS <number>   - Ensure that each subjob has no more than this many
                         structures to process.  Defaults to 100.
  -HOST <hosts>      - Run jobs on <hosts>, which is a list of one or more
                         host:ncpu entries (comma-separated). Default: localhost
  -NOJOBID           - Run job without jobcontrol.
                         NOTE: with NJOBS > 1 only applies to the driver job.
  -USER <user>       - Use remote host <user> name if different from localhost.
  -LOCAL             - Run in local directory (default for localhost jobs).
  -WAIT              - Do not return until the job completes.
  -SAVE              - Copy compressed tmpdir to launch directory on failure.
  -NICE              - Run the at reduced priority.