[gmx-users] Regarding Gromacs Algorithms

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 2 13:52:57 CET 2011

Ravi Kumar Venkatraman wrote:
> *Dear All,
>               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.*

Allen & Tildesley (reference 90 in the manual) and also Frenkel & Smit or any 
number of others.  Searching Google for "molecular dynamics textbooks" turns up 
a few sites with decent lists.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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