Dear Prof. Graeme and others,
I have used only 1 image to perform the NEB calculation. Then in File "01", I use xdat2xyz.pl to generate movie.xyz. It is amazing, but it can juste generate the process between the initial configuration and the image. How can I get the movie showing the whole progress?
"nebmovie.pl" is not useful because it can only generate three configurations in my calculation.
Thank you very much.
How to generate the whole movie
Moderator: moderators
Re: How to generate the whole movie
If I understand the question, you would like to see a movie of the reaction mechanism. With only 1 intermediate image, there are only 3 configurations in the movie. Some visualizers will allow for interpolation between these images (jmol and/or vmd, I think) but we do not have a script to do this (although, it would be very easy to do, for example, modifying the modes2xyz script).