From: McGuire, Kelly (
Date: Thu May 31 2018 - 13:39:07 CDT

In ABF, is the PMF calculated if the molecule strays outside of the lowerboundary and upperboundary window? Say LB is 2 and UB is 4, and the molecule diffuses outside of that 2 and 4 window, what happens to the PMF calculations? Thanks!

Kelly L. McGuire
PhD Scholar
Department of Physiology and Developmental Biology
Brigham Young University
LSB 3050
Provo, UT 84602