Coarse-grained Force Fields from the Perspective of Statistical Mechanics: Better Understanding the Origins of a MARTINI Hangover
Z. Jarin, J. Newhouse, G. A. Voth
This paper evaluates the MARTINI coarse-grained model's adherence to statistical mechanics by comparing it with all-atom simulations, identifying issues in temperature transferability and enthalpy-entropy decomposition.
bioRxiv · Jun 25, 2020Biophysics