From chemistry-request@ccl.net Sun Feb 9 00:33:41 1992 Date: Sat, 8 Feb 92 20:52 PST From: Subject: mopac automation To: CHEMISTRY@ccl.net Status: RO I have a multitude of structures I'd like to get heats of formation for with MOPAC 5.0. Since the structures are small they only take about 1 hr for each calculation. Instead of having to sit around and wait for a run to finish so I can start the next one I'd like to have some way (via a shell script or MOPAC input file) to automate the process. Has anyone done this? Your help would be most appreciated. Andrew A. Mundt WSU Department of Biochemistry f0418950@jaguar.csc.wsu.edu