Subject: CCL:How to implement new parameters in MOPAC 6.0

From: "Gabriele Costantino" <[email-masked]>
Date: Fri, 24 Jan 1997 06:33:29 -0800

Hi CCL friends:
just a simple question. I would like to add a new element to Mopac 6.0 (i.e Fe
or Rh). I have modified the block.f routine by adding the new PM3 parameter
definition (USS, USP....). When tested on a simple compound, however, the
program stops with the message "DATA ARE NOT AVAILABLE FOR ELEMENT ...".
The same thing happens if the EXTERNAL keyword is added to force the program to
read an external parameter files.
Any suggestion will be welcome
Thanks

Renato Rovito
Undegraduate student
Universita' di Perugia (Italy)