Dear Material Studio Users,
One of my use of MS is to use MS as a viewer to postprocess my kMC results. I would like to follow the system evolution through the simulation. The number of atoms is variable.
I wrote a small script in order to build a .arc file from a set of configurations. Then I can easilly import this file which contain n frames.
When I export this file, I get a .xtd file with n frames, great. But it seems that MS set an atomic ranking from the first frame, and keep this ranking for all the frames. And as some atoms appear or desappear, from the 2nd frame the species in the .xtd file don't match anymore with the one in the original .arc file.
Does anybody have been face to a such issue and can propose me a way to solve it?
Thank you in advance.
One of my use of MS is to use MS as a viewer to postprocess my kMC results. I would like to follow the system evolution through the simulation. The number of atoms is variable.
I wrote a small script in order to build a .arc file from a set of configurations. Then I can easilly import this file which contain n frames.
When I export this file, I get a .xtd file with n frames, great. But it seems that MS set an atomic ranking from the first frame, and keep this ranking for all the frames. And as some atoms appear or desappear, from the 2nd frame the species in the .xtd file don't match anymore with the one in the original .arc file.
Does anybody have been face to a such issue and can propose me a way to solve it?
Thank you in advance.
