hi everyone

I am using forcite module for the analysis of PBC-cell made of epoxy polymer reinforced with CNT, constructed using Amorphous cell. I got stucked while relaxing the cell through successive use of NPT and NVT dynamics. I want to know, how to confirm that the cell has been totally relaxed and equilibrated by looking at the .XCD graphs in the out put results.

How should one decudes about the optimum numbers of steps or total simulation time required to be given for respective dynamics simulations.

What is the exact sequence of type of dynamics( NPT and NVT)  in case of polymer nanocomposites.

Secondly I want to know, how to perform curing process with the help of heating dynamics and close contact check  after constructing amorphous cell of liquid epoxy resin and hardner mixture. Presently I am using the representative element stiochiometrically cured manually prior to AC cell construction.

please accept my gratitude for any help in this regard.