Hello Marton,
The random initial position may not the most important part.could you please tell me how to get a single partcicle’s momentum exchange time window dt?Since the result of the total forcesqr by all particles at the same time are not compatible with the paper,I think it may have some different with simulate particles one by one?
Thanks!
Since you wrote “By calculating the average for N particles, the total momentum exchanged with the TM by each particle is obtained.” - my advice was for this, recording forces on the TM then averaging.
Molflow can, in fact, simulate particles one by one, you have to set simulation to stop at desorption=1 (deosrption limit) and set 1 subprocess (both in the Global Settings window):
You have to either manually start and reset the simulation, or use molflowCLI to repeat the process.