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, ‘example.run’. Such shell script ‘example.run’ needs be executable, if it isn’t you will need to make it executable, e.g. chmod u+x example.run. The ‘example.run’ file needs to be executed as a shell script, not as input to $AMSBIN/crs.