I am doing an NVE simulation (with good energy conservation, around 0.01%)
with a silica nanoparticle thermalized at 500 K immersed in a water bath at 310 K.
The silica nanoparticle has 10K atoms and the water bath 100K atoms.
I run the simulation for 600ps, and the temperature
reaches asymptotic behavior after 150ps. In principle both system should reach
the same temperature due to the heat exchanged, but actually there is a difference
of almost 15 K between the final temperature of both system, water bath is at 296 K
and silica nanoparticle is at 311 K.
Why is this happen? How can I solve this problem?
Attached you will find my input file