#In an experiment, I want to make temperature of certain groups 300k (The group acts as a heat sink). But, the temperature doesn’t remain constant at 300k rather it increase upto 450k. How to maintain constant temperature with fix langevin or temp/rescale?
#Another question, is the size of group somehow responsible for not maintaining the constant temperature?
By applying either thermostat to the group with a reasonable damping time. Your question is way to vague for any meaningful advice.
Smaller groups have higher fluctuations, but the average value should still be the one you impose.
1 Like