[gmx-users] treecode again
Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Mon May 3 10:07:01 CEST 2004
Dear David, Eric,
If one really want to implement his treecode method into gromacs, which
part of code should be modified ?
Can you give some advices in advance ?
Dr. Yuguang Mu
School of Biological Sciences
Nanyang Technological University
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]
On Behalf Of Erik Lindahl
Sent: Friday, April 30, 2004 5:02 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Mailing list issue fixed
Not a lot (if anything) for today's typical biological problems since
the effective interactions are almost always dipole-dipole (or decaying
even faster), so we can use fairly short cutoffs.
However, that doesn't mean it wouldn't be useful - I could imagine
large (simplified) membrane systems or other setups where it would be
On Apr 30, 2004, at 10:39 AM, Mu Yuguang ((Dr)) wrote:
> To what degree that you guys think, a well-developed, so-called,
> treecode algorithm for N-body problem can improve our MD simulation
> speeds ?
> Dr. Yuguang Mu
> School of Biological Sciences
> Nanyang Technological University
> Singapore 637616
> Tel: 0065-67906489
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