Hello Miguel Quiliano, I have been working with Protein Structure Prediction. But, my research is computation area which means to develop an algorithm to try study it.
Maybe the paper below helps you. Reproducible Polypeptide Folding and Structure Prediction using Molecular Dynamics Simulations M. Marvin Seibert, Alexandra Patriksson, Berk Hess and David van der Spoel doi:10.1016/j.jmb.2005.09.030 You can find more details about mdp file in http://www.gromacs.org/Documentation/How-tos/Beginners I hope these information help you. -- 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 Public Profile - http://br.linkedin.com/pub/rodrigo-faccioli/7/589/a5 On Tue, Apr 19, 2011 at 12:53 PM, Miguel Quiliano Meza <[email protected] > wrote: > Dear Community. > > I am a beginner user of Gromacs for this reason I would like to consult my > case. > > Nowadays, I am studying a protein which folding process has experimental > data (especially for a mutant). Structural information about how a mutant > destabilizes secondary structure was recently published. The work shown > how gradually increasing 1 C degree the structure is affected (from 18 to > 20 C). > > I would like to study the process in silico, but I don´t know what > parameters put in the ".mdp" file. > > Please their advices or help would be appreciated. > > Best Regards. > > Miguel Quiliano > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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