langevin vs coupling to a heat bath

From: patrick wintrode (pat_wde2_at_yahoo.com)
Date: Tue Jun 21 2005 - 15:25:29 CDT

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Hi everyone.

I'm wondering what are the advantages/weaknesses of
Langevin dynamics vs coupling to a heat bath as
methods for maintaining constant temperature.

Is one of them significantly more efficient? How about
being physically realistic and/or being prone to
nonphysical artifacts?

I notice that all of the examples shown on the NAMD
website use langevin dynamics for temperature control.
Is that because it's better all around?

Thanks for your help.

Patrick L. Wintrode
Department of Physiology & Biophysics
Case Western Reserev University
Cleveland, Ohio 44106

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