From: Sebastian Stolzenberg (s.stolzenberg_at_gmail.com)
Date: Sat Nov 07 2009 - 13:32:41 CST
Dear All,
Maxwell-Boltzmann tells us that for an ideal gas with particles of mass
m, e.g.:
sqrt(<v^2>)=sqrt(3kT/m)
Could somebody refer me to papers describing, how in NAMD, temperatures
are calculated from velocities (with systems of particles that interact
and all have different masses)?
I hope this calculation is not performed by solving the Langevin
equations for temperature? :o)
Thanks,
Sebastian
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