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

[Rodrigo Faccioli]

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.

Thanks,

--
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
http://laips.sel.eesc.usp.br
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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