Dear all,
I am currently interested to simulate the behavior of polymer chain at different constant tension stresses (or velocities) applied.
Recently, I've constructed the polymer chain in amorphous cell and then run 'Discover molecular dynamics' by varying the external stress in zz direction.
However, I could not observe a significant change of the polymer chain conformation in the cell. I am not very sure whether because a tension stress applied is too small (e.g. 30000 Pa) or in fact such a way is not a appropriate approach to do so.
Therefore, I would appreciate if anyone could suggest me a proper way to simulate the polymer chain under different tension stresses?
Thank you very much for your help in advance and nice to meet everyone here
Best regards,
Panu