I want to use LJ potential to simulate an atomic system.
Then I open the LAMMPS's example file to understand. However
I still confuse how to write the input script.
what is the real temperature of the system?.
Would you like to explain to me how to convert the real temperature
to our simulation temperature?
Below is an example that I download from LAMMPS examples.
The file's name is colloid.
In this system use the npt ensemble.
What is the temperature of this system?
I want to use LJ potential to simulate an atomic system.
Then I open the LAMMPS's example file to understand. However
I still confuse how to write the input script.
what is the real temperature of the system?.
Would you like to explain to me how to convert the real temperature
to our simulation temperature?
if you use reduced (=lj) units, there is no "real" temperature,
but a reduce temperature. its "real" value depends on the
"real" values for the units of length, energy, and mass that
you are using. please have a look at the documentation of
the units keyword and read up on reduced units in your
MD text book for details.
Below is an example that I download from LAMMPS examples.
The file's name is colloid.
In this system use the npt ensemble.
What is the temperature of this system?
2.0 T/T*, what else? remember that the target temperature
is an input parameter when you use a thermostat.