In your log file, the potential energy drops but the
temperature stays high. Why do you say the
system is freezing? Why not just that the system
moves into a lower energy conformation, which
could be fine?
Steve
I tried to say "most of the atoms' motions stop/freeze", not the system. I
thought of the lower energy configuration but since the material is
styrene-butadiene random copolymer (Tg is around -50 degrees celcius) and the
simulation temperature is 80 degrees celcius, I cannot explain why the motion
would slow down suddenly.
Thanks,
Sezen
Quoting Steve Plimpton <[email protected]>:
If part of the atoms are freezing and none of the others are flying
around at high velocity, then I don't know what would cause this.
A global thermostat could casue the behavior I described since
the overall T would still be the target value.
Steve