[gmx-users] Regarding Gromacs Algorithms

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Wed Nov 2 18:05:40 CET 2011

On 02.11.2011 13:38, Ravi Kumar Venkatraman wrote:
> Could anybody suggest me some books or notes or some
> materials which will help me to understand the way gromacs algorithms work
> i.e. how neighbor group search works e.t.c. I kindly request you to suggest
> me other than the gromacs manual.*

There are many good Books and papers on the topic as Justin already noted,
it'd be hard to give a comprehensive overview.

IMHO, a rather in-depth treatment of practical problems
related to "how neighbor group search works" (and more) is given
("Numerical Simulation in Molecular Dynamics", Griebel, Knapek, Zumbusch)

In the TOC of this book:
you'll find your question treated in Chap. 3



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