[lammps-users] Damp factor in fix langevin

Dear All,

I use lamps to study the friction behavior between polymers,
and want to hold the temperature of thermostat part of the system at a constant value.
I am wondering how to set the damp factor in fix langevin command.
If the damp factor is large, the temperature will go up after a long time friction,
but if the damp factor is small, the temperature will oscillate greatly around the set value.

Could you give me some advice on the damp factor setting?

Thanks in advance,
Fangli


Fangli Dua
Department of Materials Science and Engineering
University of Florida


I don't know - lots of people use fix langevin with a time (damping)
param equal to about 100 timesteps, without problem. Some oscillations
in T are normal. I don't think T will go up with a large damp
factor. As long as you are looking at times longer than the (time unit)
damp factor, the T should remain around the target T.

Steve

2010/2/25 Fangli Duan <[email protected]...>: