Dear all，
I used the forcite module in the 2024 version of MaterialsStudio software to calculate the mechanical properties, and compared the results of the two methods, the same parameters, the same input model, but the results are different, may I ask why?
The first method is to copy the structure of each frame in a trajectory file and calculate the mechanical properties with the same parameters one by one.
The second method is to write a perl script that streamlines the steps of the first method.
The results show that except for the first result, the rest of the results are completely different, why?
Attached is the script I wrote. Please ask the experts to answer any questions. Thank you.