Hello, everyone. I’m simulating the nanochannel. The temperature reset area in the heat pump model resets the temperature of the atoms in the area. Can I set it like this to achieve the purpose?
region kongliu1 block 8 16 0 {y} {g9} {g10} units box
group kongliu dynamic h2o region kongliu1 every 10
compute newT kongliu temp/partial 0 1 1
compute_modify newT dynamic/dof yes
fix kongwen_langevin kongliu langevin 300 300 {Tdamp} 699483
fix_modify kongwen_langevin temp newT
It’s not clear what you’re asking (although thank you for clearing up the command formatting).
If your question is “can I use the command to do X”, then there is a straightforward thing to do: use the command and see if X in fact happens. Until you have tried that, even our predictions may not be correct.
As @srtee has already suggested: construct a simple test geometry and check if the command does what you expect it to do, best one component at a time.