From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Tue Feb 01 2005 - 11:15:24 CST
I am studying the binding affinity between two protein molecules. Now I want
to mutate one residue in one molecule and calculate the free energy difference
between the wild type one and the mutant. I have looked at "the tutorial to set
up ...". But I still don't know how to get the psf_file for hybrid molecule
using psfgen before I do any exclusion definition.
Because I have only NAMD. Could I do exclusion definition by hand?
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:08 CST