From: Shahid Qamar (qamar13_at_hotmail.com)
Date: Wed Jun 08 2005 - 15:35:30 CDT
I am running a free Energy Perturbation on a system. I am reading in the
literature that I have to do reverse FEP. What does that mean and how I can
run reverse FEP? Is it just to change the ID in the B column from 1 to -1
and make the initial state at the final state and vice versa and then run
the FEP or something else?
If someone have ay idea then please let me know.
Thanks for your help.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:31 CST