[gmx-developers] Force Field on GROMACS

Rodrigo faccioli rodrigo_faccioli at uol.com.br
Thu Jul 31 20:24:40 CEST 2008

Hi GROMACS developers,

I have been developing a Evolutionary Algorithm (EA) for protein folding
problem. In my master degree, I developed an EA which uses Tinker software
to calculete the force field. However, in my doctoral degree I want to
change it to GROMACS force field functions or another force field functions
that is available on GROMACS.

So, my problem is how can I extract GROMACS the functions to caculate the
force field from source-code? In other words, is it possible to obtain a
force field functions from GROMACS source-code?

Thanks any help.

Rodrigo Antonio Faccioli
Student of Post-graduation 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20080731/7da38f30/attachment.html>

More information about the gromacs.org_gmx-developers mailing list