[gmx-users] Dissipative Particle Dynamics (DPD)

Yang Ye leafyoung at yahoo.com
Tue Sep 2 03:10:19 CEST 2008

there is dpdmacs available..

Yang Ye

----- Original Message ----
From: Suman Chakrabarty <suman at sscu.iisc.ernet.in>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Monday, September 1, 2008 5:50:15 PM
Subject: [gmx-users] Dissipative Particle Dynamics (DPD)

Dear all,

since one of my mails with multiple questions went completely
unanswered ( http://www.mail-archive.com/gmx-users@gromacs.org/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 Dynamics?

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?

Suman Chakrabarty.
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