error lost atoms in thermo

Hi I want to decrease the temperature of my system. I;m using following lines :

variable t equal 1
thermo_style custom step temp etotal
thermo 10000

velocity all create $t 5898 dist gaussian mom no rot no
fix 1 all nvt temp $t 0.02 100.

timestep 0.001

run 100000000

run 10000000

but I’m getting the following error :

58820000 0.38752275 16.426996
58830000 0.40476363 16.422477
58840000 0.37155634 16.422245
58850000 0.39115889 16.414839
58860000 0.38386821 16.414015
ERROR: Lost atoms: original 155 current 0 (…/thermo.cpp:392)

I’m using periodic boundaries so it doesn’t make sense to have lost atoms.
In addition, I think that I have understood the “fix nvt Tdamp”
I set Tdam equal 100 as the documents suggested. I expected that my system’s temperature reach to 0.02 after 100 step but as you can see above the temperature is equal 0.4 in 58860000th step. Why?


Recommended temperature damping factor from the doc page is 100 times the timestep size, which should be 0.1 in your example.

You can still lose atoms with periodic boundary conditions – this is a frequently discussed topic on the mailing list. I suggest you do a little search.

Hope this helps,

So can you tell me in which step I get my final temperature which is 0.02? I’m still confused what does 0.1 mean here? Is it the timre required to pass or it is 0.1 of run steps?