Lords of Jmol: I came across an interesting question the other day. A
student wants to use Gaussian .log output to build an animation of the
geometry minimization process from Gaussian's point of view, with each frame
corresponding to a different geometry until the optimized structure is
reached. Any thoughts on the best way to do this?
Cheers and thanks, Mike
Organic Chemistry Graduate Student
University of Illinois, Urbana-Champaign
I don't know Gaussian, but Jmol will open the file without trouble (at leats until it fills up the
Java memory). So some advice:
If the log file has all the structures, a single
If not, a
load files "myfile1.log" "myfile2.log"
In any case, use the "trajectory" option in load. AFAIK that saves memory
Check the Jmol Wiki for ways of inreasing Jmol Java memory if needed.
Finally, use the
command to drive the animation