Hi All,
When running an MD simulation at a certain temperature, is there a way to fix 
the temperature fluctuation within 5 - 10 K?   If so, please let me know.

In my calculations with Nose thermostat, I find the temperature fluctuation is 
100 - 150 K. Herewith I have attached my .fdf file that I use to run the MD 
simulation.

Best Regards
Kausala

Attachment: Glass_Nose_Temp.fdf
Description: Glass_Nose_Temp.fdf

Responder a