From: Edward Patrick Obrien (edobrien_at_Glue.umd.edu)
Date: Wed Nov 10 2004 - 15:54:07 CST
Does any one know if Langevin temperature control, implemented in NAMD,
leads to correct equilibrium averages in the canonical ensemble?
I know Berendsen, with a weak coupling constant, may lead to correct
averages but incorrect dynamics; but there doesn't seem to be much info on
the Langevin method.
Anyone have any thoughts on which is better for temperature control?
All I want is equilibrium properties, so I'm not to worried about
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