about delta-G in PMF calculation

From: Hyonseok Hwang (danggi_at_northwestern.edu)
Date: Thu Apr 01 2004 - 22:36:27 CST

Dear NAMD users,

In the beginning of the log file of the PMF calculation, we see the
"delta-G" term as below :

FreeEnergy: nstep time(ps) task lambdaKf lambdaRef delta-G
#steps n*{value target |}

What does this "delta-G" mean? I mean what is the definition of delta-G?
Is this equal to delta-G/delta-lambda?
Thanks a lot!


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:29 CST