Hello all:
Is it possible to apply the thermostat in the x and y dimension, but not in the z? I know that it is possible to barostat the individual dimensions, but couldn't find the equivalent with the temperature. Or is it that if the barostat is only applied in the x dimension the thermostat is similarly only applied in that dimension?
Best,
Mike
You have the freedom to assign a temperature compute
to the thermostat (e.g. fix nvt or fix langevin)
via fix_modify.
If you use compute temp/partial, then you can exclude
dimensions you want.
Steve
Steve:
Thanks. But doesn't the computes just report the temperature obtained from the fixes?
What I want is for the fix nvt/npt to not alter the z component of the velocity vector in order to obtain the target temperature. So something like fix nvt in the x/y dimensions, fix nve in the z dimension.
Mike
If you do what I indicated, namely
assign a compute temp/partial to fix nvt
or fix langebin, then it will do what you say.
Steve
Ahh... didn't read the manual carefully enough.
Your suggestion is indeed the solution.
Thanks,
Mike