Hi there
I am relatively new to Molecular Dynamics and I would like to see the stability of a periodic MOF structure over various temperatures. So I have performed 100 ps (step size is 0.1 fs) MDs with Forcite over different temperatures ranging from 100, 200, 300, 400, and 500. Expectedly, the stability of the system is decreasing (relatively) upon increasing temperature, however, when I look into the energy and temperature profiles a large fluctuation is observed (please see attached) at the beginning, is this usual...? Since this material is not super stable experimentally, I was wondering whether I would be able to simulate the same...?
