Running the COSMO-RS program

Running the COSMO-RS program involves the following steps:

  • Construct an ASCII input file, say in.

  • Run the program by typing (under UNIX): $AMSBIN/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 $AMSBIN/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 $AMSBIN/crs.