# AMScrs: COSMO-RS¶

AMScrs is a utility program ($AMSBIN/amscrs), which enables AMS users to easily create COSMO-RS jobs. You can use AMScrs to add compounds, choose the desired property, and to set details of your COSMO-RS job using an easy-to-use graphical user interface. AMScrs will generate the complete job script for you. This script takes care of running COSMO-RS. You can also use AMScrs to run these script files and visualize the results. The description of a compound that you want to use should be on a file, and should be a result file of quantum mechanical calculations using COSMO. In ADF such a COSMO result file is called a adf.rkf (.rkf) file, or a COSKF (.coskf) file. AMScrs might also be able to read a result file, for example a .cosmo file, from other programs. If you have installed the AMS package correctly, the amscrs command is located in$AMSBIN.

If \$AMSBIN is included in your PATH environment variable, you can start the AMScrs program with the following command:

amscrs [filename filename2 …]

The file names are optional. AMSinput handles files that were created by AMSinput before (which have a .crs or .crskf extension), use only one file name in these cases. One can add multiple files, which correspond to different compounds, if these files contain results of quantum mechanical calculations including COSMO on these compounds. these result files should have .rkf, .t21, .coskf, or .cosmo extension. The file can also be a plain text file with a list of file names (.compoundlist), which contains on each line the filename of a .rkf, .t21, .coskf, or .cosmo file.

An alternative method to start AMScrs: select the COSMO-RS command from the SCM menu, or use AMSjobs to start AMScrs.

Under windows you can start AMScrs by double-clicking the icon on the desktop.