Hello,
I am trying to do a mutant free energy calculation by amber6. I checked
the script mm_pbsa, it seems that this script only modify the coordinate
(trajectory), that means I have to prepare all of those mutanted
topology files by using either leap or rdparm. According to the papers
J.A.C.S,1999,121,8133-8143, J.M.B.2000,295,1-6), the modifited topology
files should be done with the same script? I am not sure with that.
Thanks for your help,
Jianxin
Received on Wed Feb 23 2000 - 10:03:07 PST
