Running the COSMO-RS programΒΆ

Running the COSMO-RS program involves the following steps:

  • Construct an ASCII input file, say in.
  • Run the program by typing (under UNIX): $ADFBIN/crs < in > out
  • Move / copy relevant result files (in particular CRSKF) to the directory where you want to save them, and give them appropriate names.
  • Inspect the standard output file out to verify that all has gone well.

Note that in the one can also put the call to $ADFBIN/crs inside a script, which could be named, for example, ‘’. Such shell script ‘’ needs be executable, if it isn’t you will need to make it executable, e.g. chmod u+x The ‘’ file needs to be executed as a shell script, not as input to $ADFBIN/crs.