UT theoretical chemistry code forum

Dear all,

Is there anyone who uses vmd to view the movie file, I tried and found the trajectory animation was not displayed. Any comments on the detailed procedure of this please?

Thanks,
Michael

The movie files are simply concatenated POSCAR files. You should be able to use visualizers including vesta, VMD, or there is a viewer in ase and in our tsase package.

Dear Graeme,

Thanks for your reply! Do you mean just simply opening the file with vesta or VMD? I tried doing that with those software but only one frame was displayed without animation, although the movie file has a couple of frames.

Regards,
Jiajun

Well, I guess this shows how little I do calculations any more. I also had trouble with vesta and vmd. I'll check with my group and see if they have tricks. I always use our xyz viewer (in tsase) and I know that the visualizer in ase will also load and play these movies.

if you don't have TSASE but have ASE you could always do
ag 0*/CONTCAR or ag 0*/POSCAR

I've never visualized NEB results outside of the linux environment