thank you so much.
But now i’m still not sure whether “the current temperature” is the same as “the temperature” calculated by “compute temp/partial”. If not , what does “the current temperature” refer to?? If yes, does “the current temperature calculated taking the bias into account” conflict with " the compute temp/partial" style??
The current temperature is the temp on each tilmestep
the thermostat is acting, calculated by calling temp/partial.
Steve
and if this， why is the bias still being taken into account when “the current temperature” is calculated ? in fact, when “the current temperature” is calculated by calling the compute temp/partial, the bias is not taken into consideration.
Thank you again for your patience.
I no longer know what you are asking. If you use compute temp/partial
and print it’s output, e.g. with thermo output, it will always show
a temperatuer that has the bias removed. In the case of temp/partial
the “bias” is whatever DOFs (x,y,z) you specify as 0 in the command,
to remove them.
It’s the same when you assign compute temp/partial to a thermostat
like fix nvt. The temperature the thermostat uses is with the bias
removed and it only thermostats the remaining DOF.
Steve