we deal
with the drift when we use an affordable time-step in a long-time simulation?
With best wishes,
Wade
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why does the conserved En. drifted with a constant rate in a 10 ns
?simulation for a pure water box (216 tip4p water)?
With best wishes,
Wade
(part of the code please see below, I hope I have got the key point).
?
~~~
why does the conserved En. drifted with a constant rate in a 10 ns
simulation for a pure water box (216 tip4p water)?
With best wishes,
Wade
(part of the code please see below, I hope I have got the key point).
~~~
Dear Mark and ALL,
I am trying to calculate the conserved energy (H-tilde) in Bussi's
stochastic velocity rescale algorithm (jcp,2007).
In previous maillist, Mark had mentioned that the conserved En. in ener file
is the H in bussi's paper
(http://permalink.gmane.org/gmane.science.biology.gro
