the goodman group
university of cambridge  


   cadpac notes

The Silicon Graphics Teaching Laboratory
has been replaced by the
Chemi cal Information Laboratory
and this information is for historical interest only

Cadpac Notes

Ab initio molecular orbital program. Examples of input files are in /usr/local/cadpac
rcadpac filename

Use the mm2cad and the c2mm commands to convert from MacroModel format to Cadpac format. Cadpac is very expensive in computer time, so you must use a local directory.

More information on CADPAC is available from its authors. Documentation is also available on-line.

If you want to use an element whose basis set is not included in the program, you can obtain basis sets over the web:
Index of Basis Sets
(http://wserv1.dl.ac.uk:800/emsl_pnl/basisform.html is the European mirror site - probably faster if you are in the UK )




© Goodman Group, 2005-2017; privacy; last updated October 18, 2017

department of chemistry University of Cambridge