Hello all,
I tried MD simulation using the constant pressure Melt Quench template in the workflow on GeTe configuration.
The movie for trajectory looks fine but the final configuration of MD looks different from the final image shown in the movie and it is way off. Does anyone know what is causing this?
I used QuantumATK_MTP_GST_2022_12 (Ge, Sb, Te) as the forcefield
Thanks