|I remember such program was the BSc thesis of a classmate
of mine back at UNAM in Mexico, about a decade ago. Try to get in touch with Dr.
Ivan Tubert-Brohman, he might still have the perl code. He is easy to find
through Google so you shouldn't have a problem getting in touch with him.
On a different topic; I would like to encourage everyone on the list to recover what to me seems to be a lost practice on CCL, which is posting summaries to answers received.
Joaquin Barroso-Flores, Ph. D.
Facultatea de Chimie, Universitatea Babes-Bolyai
--- El lun 7-sep-09, Werner K werner.schroedinger:googlemail.com <owner-chemistry() ccl.net> escribió: