[gmx-developers] minimize.c, code documentation and genetic algorithms

Rodrigo Faccioli rodrigo_faccioli at uol.com.br
Thu Apr 15 03:16:15 CEST 2010

Hi Pedro,

I've studied Gromacs source-code for the same propose (implementation of
Genetic Algorithms).
If you can, we can talk more specific about it.


Rodrigo Antonio Faccioli
Ph.D Student in Electrical Engineering
University of Sao Paulo - USP
Engineering School of Sao Carlos - EESC
Department of Electrical Engineering - SEL
Intelligent System in Structure Bioinformatics
Phone: 55 (16) 3373-9366 Ext 229
Curriculum Lattes - http://lattes.cnpq.br/1025157978990218

On Wed, Apr 14, 2010 at 7:57 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 15/04/2010 8:47 AM, Pedro Dalcin wrote:
>> Hello to all,
>> I'm a student at the Federal University of Rio de Janeiro and I'm
>> working on a project to implement a method, using genetic algorithms, in
>> Gromacs.
>> I'm currently studying the code from "minimize.c" (version 4.0.7) and I
>> was wondering if there is any documentation regarding constants,
>> variables and functions, at least for this specific file.
>> Any help in understanding the code would be great.
> There is some documentation of some of the relevant data structures on the
> GROMACS webpage, but it's far from complete. In my experience, the best
> thing to do can be to get a debugger and step through the code yourself...
> Mark
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