[gmx-developers] Running energy minimization using ga

Adriano V. Werhli werhli at terra.com.br
Tue Mar 26 23:35:18 CET 2002

My name is Adriano, i live in Brazil and i'm asking for your help to do a master degree challenge.
I'm trying, instead to use steepest descent, use genetic algorithm in energy minimization. 
But to do this i need to calculate many times (generations) the energy, each time with different coordinates (from the genetic algorithm).
I would like to know how can i call gromp and mdrun from my c program, and how can i send from mdrun the energy value direct to my c program.
If someone can help me with it, i'll be very thankful.

Adriano Velasque Werhli
Mestrando em Ciência da Computação
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