R: Re: Re: R: Re: Re: temperature in NVE ensembles

Looks OK to me. You should get the same total kinetic energy regardless of the random number seed you use. Using different seeds for different runs should produce independent trajectories.


"velocity all create c_termo_themp 312231 dist gaussian"

this is not correct usage, but if you do something like:

variable myt equal c_thermo_temp
velocity all create ${myt} 312231 dist gaussian

You should get the desired behavior. Try it out and see. If it does
not work, read the documentation. It's all there.