Dear Steve,
I am grateful for your suggestion for the method to compute temperature and it’s very helpful. And I wonder about that if I use commnds like this:
" …
compute innertemp inner temp/com
compute part2temp part2_of_outer temp/com
…
fix 1 inner nvt temp 300 300 0.1
fix_modify 1 energy yes
fix 2 part1_of_outer move linear 0 0 0.5
fix 3 part2_of_outer nve
…
thermo_style custom step c_innertemp c_part2temp … "
Could I make it : the temperature of part2_of_outer gets close to the temperature of inner by heat transfer or so? Can the energy of part2_of_outer be transfered to the inner tube?
I don’t want to fix part2_of_outer like this:
fix 3 part2_of_outer nvt temp 300 300 0.1
because I don’t want to gain or dissipate extra energy to an “unknown” system (except the inner tube).
I am a little shy to disturb you and I cannot express to you how grateful i am.
yours sincerely,
Ma Teng