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has been replaced by the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 )
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