Dear amber users,
I want to calculate atomic self-correlations <r(to) r(to+t)>_to in my
system, and I wonder how this quantity is affected if I introduce a
Langevin heat bath with a particular damping coefficient in the simulation
(NPT ensemble).
Does anybody know where can I find a formal discussion on how correlation
functions are affected by the introduction of this particular heat bath?
-Jose
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Received on Fri Mar 28 2014 - 12:30:02 PDT
