[gmx-users] Dissipative Particle Dynamics (DPD)
suman at sscu.iisc.ernet.in
Mon Sep 1 11:50:15 CEST 2008
since one of my mails with multiple questions went completely unanswered
( http://email@example.com/msg15437.html ), let
me try this time with more specific question.
Is there any chance of Dissipative Particle Dynamics (DPD) being
incorporated in Gromacs as a companion (or even replacement) of Brownian
According to the book "Understanding Molecular Simulation" by Frenkel
and Smit (Second edition, 2002, page 467), Brownian Dynamics does not
conserve momentum, does not obey Newton's 3rd law and hence does not
recover correct hydrodynamic (Navier-Stokes) behaviour at large length
and time scales, while DPD takes care of all these problems.
In that case, wouldn't it be more appropriate to use this technique as a
replacement of Brownian/Langevin dynamics?
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