ADFcrs is a utility program ($ADFBIN/adfcrs), which enables ADF users to easily create COSMO-RS jobs. You can use ADFcrs to add compounds, choose the desired property, and to set details of your COSMO-RS job using an easy-to-use graphical user interface. ADFcrs will generate the complete job script for you. This script takes care of running COSMO-RS. You can also use ADFcrs to run these script files and visualize the results.
The description of a compound that you want to use should be on a file, and should be a result file of quantum mechanical calculations using COSMO. Such result file is called a .t21 file in ADF. ADFcrs might also be able to read a result file, for example a .cosmo file, from other programs.




