Dear All,
I would like to oscillate the thermostat temperature during the simulation.
The fix nvt command allows temperature to be linearly changed from Tstart to Tstop, but it takes only two float numbers instead of variables. Is there a way that I can define a variable to let the thermostat temperature change non-linearly?
Thank you!
–John
Dear All,
I would like to oscillate the thermostat temperature during the simulation.
The fix nvt command allows temperature to be linearly changed from Tstart
to Tstop, but it takes only two float numbers instead of variables. Is
there a way that I can define a variable to let the thermostat temperature
change non-linearly?
it is not possible with fix nvt, but some other thermostat fixes do
support this (i don't recall of the top of my head which ones). just
replace fix nvt with nve and such a thermostat.
axel.
Fix langevin definitely supports it.