Greetings,

I am currently analyzing production runs using Perl scripts in Materials Studio. Some simulation runs had to be continued after exceeding the allocated walltime on the HPC. I need to read multiple trajectory files (or an arbitrary number of them) and process the entire trajectory using the Perl script. May be merge them into one trajectory file.

If you are aware of any commands provided by Materials Studio to facilitate this, please let me know. One possible solution might be copying frames to a study table, but I will need to explore this further.

The Perl scripts calculate various properties, including polymer chain dimensions, cohesive energy density (CED), diffusivity, and interaction energy between molecules of interest.

Thanking you

Krishna