Making the best of a bad situation: a multiscale approach to free energy calc...

Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential...诸多增强采样技术（enhanced sampling techniques）均需识别若干集体变量（collective variables），以描述体系的全部慢模式（slow modes）。通过构建偏置势（bias potential）……