Hi,
I have GAMESS output from both sides of the reaction coordinates from a
Cl-CH3-Br anion intermediate as an example of an SN2 reaction. I can load both
output files in Jmol as different models and animate them consecutively;
however, since they both run downhill, it isn't really the sequence of the
desired SN2 trajectory.
How can I reverse the order of the frames of one model and is there a preferred
way to save the collection of frames from both models in one file? Also, is
Jmol reading the energy of each structure and can I access that as a variable?
Thanks for any help,
George
Dr. George E. Whitwell
Associate Professor - Chemistry
North Carolina Wesleyan College
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