Now I encounter one problem about the temperature when I use fix smd command.
I use “fix nvt” for group ‘A’ in my system and “fix rigid” for group ‘B’. If just do the equilibrium and full relaxation, there is no problem, the temperature is stabled at the desired temperature (110K) after a while.
However, once I turn on the “fix smd” for group ‘B’ and meanwhile the “fix rigid” is still working for group ‘B’. The temperature suddenly dropped down over 50%. I don’t know what’s the problem. Does anyone know what’s the reason? Your kind help would be most appreciated.