Hello all.

I was wondering if there is an easy way to compute pressure components for each frame (Pxx, Pyy and Pzz) from an NVT simulation with Mesocite. Analysis currently permits only calculation of the average value. Is there a quick way to access these quantities (I guess they are calculated during the simulation and then averaged to get P), or shall I write a script to calculate them from my .xtd (which includes forces)?

Thanks for attention!

Regards

Giulio