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.