compute temp/profile command

Dear all
I want to use the compute temp/profile command for calculating the temperature of the waters, after subtracting out a
spatially-averaged center-of-mass velocity field.But I can not get the velocity gaussian distribution of waters . I use the “fix shake”/" fix nvt "/“fix temp/rescale” command to bond length of water molecules and temperature of group water.After I read that The removal of the spatially-averaged velocity field by this fix is essentially computing the temperature after a*“bias” has been removed from the velocity of the atoms. If this compute is used with a fix command that*
performs thermostatting then this bias will be subtracted from each atom, thermostatting of the remaining thermal velocity will be performed, and the bias will be added back in. Thermostatting fixes that work in this way include fix nvt, fix temp/rescale, fix temp/berendsen, and fix langevin from manual.Now I want to know how to eliminate the “bias” and get the velocity gaussian distribution of waters when use these fix commands? Thanks!

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Not clear what you asking. What does “get the velocity gaussian distribution of waters”

mean? Do you just mean calculate the temperature? If so, the compute temp/profile

doc page explains how to do that, and what it’s limitations are. You should

note that it does not do anything special for fix shake like subtract SHAKE dofs,

again as explained on its doc page.