The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
Coarse-grained (CG) models provide a computationally efficient method for rapidly
investigating the long time-and length-scale processes that play a critical role in many
important biological and soft matter processes. Recently, Izvekov and Voth introduced a new
multiscale coarse-graining (MS-CG) method [J. Phys. Chem. B 109, 2469 (2005); J. Chem.
Phys. 123, 134105 (2005)] for determining the effective interactions between CG sites using
information from simulations of atomically detailed models. The present work develops a …
investigating the long time-and length-scale processes that play a critical role in many
important biological and soft matter processes. Recently, Izvekov and Voth introduced a new
multiscale coarse-graining (MS-CG) method [J. Phys. Chem. B 109, 2469 (2005); J. Chem.
Phys. 123, 134105 (2005)] for determining the effective interactions between CG sites using
information from simulations of atomically detailed models. The present work develops a …