Dear Lammps community,
I am doing some simulations with a system: gas molecules and a frozen part.
I have established temperature for the unfrozen part, details can be found in the input file attached and I have obtained in the output (attached) that the temperature is in two times lower than desired one (300 K). Could you please give me a hint how to solve this problem?
Thank you.
Kind Regards,
Evgeniya
lammps.out (13.9 KB)
input (1.25 KB)
Dear Lammps community,
I am doing some simulations with a system: gas molecules and a frozen part.
I have established temperature for the unfrozen part, details can be found in the input file attached and I have obtained in the output (attached) that the temperature is in two times lower than desired one (300 K). Could you please give me a hint how to solve this problem?
You are comparing apples and oranges: Half of your system has no kinetic energy and the other half is thermostatted to 300K. But when you output “the” temperature, you get - of course - the temperature of the entire system. Compute and output the temperature for the mobile part only, and you will see what you are looking for.
Axel