Jan H Meinke and Ulrich H E Hansmann 2007 J. Phys.: Condens. Matter 19 285215 doi:10.1088/0953-8984/19/28/285215
Jan H Meinke1 and Ulrich H E Hansmann1,2
Show affiliationsUsing a variant of parallel tempering, we study the changes in sampling within a simulation, when the all-atom model is coupled to a Go-like potential. We find that the native structure is not the lowest-energy configuration in the all-atom force field. Adding a Go term deforms the energy landscape in such a way that the native configuration becomes the global minimum but does not lead to faster thermalization.
87.15.A- Theory, modeling, and computer simulation
87.15.B- Structure of biomolecules
87.15.K- Molecular interactions; membrane-protein interactions
Issue 28 (18 July 2007)
Received 14 October 2006, in final form 1 March 2007
Published 25 June 2007
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