[ase-users] Trajectory conversion
Matthias Ernst
matthias.ernst at physik.uni-freiburg.de
Thu Mar 20 11:04:00 CET 2014
Hi,
I'm quite new to ase, but I like it a lot and want to thank the
developers for the good work.
I did a geometry optimization using ase and want to convert the
trajectory, created in ase's own .traj format to another format, e.g.
multi-frame xyz oder pdb. Unfortunately, I did not find in the docs how
this can be done.
Could you give me a hint?
Thanks a lot,
Matthias
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Progress... http://www.phdcomics.com/comics/archive.php?comicid=1611
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