ABF - PMF Calculation

From: Jason O'Young (joyoung_at_uwo.ca)
Date: Fri Dec 14 2007 - 10:00:48 CST

Hi All,

This is a relatively naive question.

In the ABF method, dA/dXi is equal to the negative average force at
bin Xi. If the abf ensures that the average force in every bin
ultimately reaches zero, wouldn't the pmf converge to a horizontal
line? Or does the accumulation of forces in a particular bin exclude
the abf?

Thanks in advance!

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:41 CST