Hello everyone,
I was trying to simulate a kind of particles at one temperature and the remaining ones at a different temperature using fix nvt
Like the following:
fix 1 group1 nvt temp 500 500 25
fix 2 group2 nvt temp 300 300 25
run
unfix 1
unfix 2
Now, I am observing that the temperatures are not maintained properly. They are both reaching an intermediate value. And moving almost on equal footing. Any way to maintain the temperatures properly?
Hello everyone,
I was trying to simulate a kind of particles at one temperature and the remaining ones at a different temperature using fix nvt
Like the following:
fix 1 group1 nvt temp 500 500 25
fix 2 group2 nvt temp 300 300 25
run
unfix 1
unfix 2Now, I am observing that the temperatures are not maintained properly. They are both reaching an intermediate value. And moving almost on equal footing. Any way to maintain the temperatures properly?
the only way this could happen would be, if you turn off the interactions between those two groups of particles.
if particles are moving and can interact, they will exchange kinetic energy. that is just elementary physics.
the problem is not a problem of the thermostats, but a problem of a badly designed simulation.
axel.