Dear all:
I have a question. If I use DPD to simulate a system with a temperature of 300K, then I only need to input the conservative force parameter corresponding to 300K and set the temperature to 1.0. If I still want to simulate the 350K phenomenon, I just need to change 1.0 to 1.16? Or do you also need to change the conservative force parameter to the one corresponding to 350K? What is the reason? Similarly, if I want to introduce pressure using npt ensemble, for example, I want to simulate a 300K, 1 MPa system, does my conservative force parameter correspond to 300K, 1 Mpa, or does it only correspond to 300K?
Hi @Flash,
This question is more specifically related to the DPD potential than LAMMPS, but is shows misunderstanding on how DPD works.
The conservative parameters used with DPD are not involved in the temperature equilibration. I suggest you take a more careful reading on the first section of the pair style manual page and the how-to thermostat page as well as the related articles and make sure you understand what each input corresponds to in the equations. More detailed considerations on the underlying MD and statistical mechanics would be better explained in person with a colleague or advisor.