selective thermostat for the nanochannel electro-osmotic flow

Dear Ly,

to use selective thermostat in LAMMPS, you need to define a compute:

  compute <compute_name> <atom_group> temp/partial 0 1 1

After that, you need to associate Nose-Hoover thermostat with this compute.
X component of the velocity should not be thermostated then - if I
understand it correctly.

You can also use PUT (profile-unbiased) thermostat - for my cases they
did not differ much.


Dear Bohumir
I'll be glad to see my answer in mailing list