Hi,
>From Amber tutorial online, I learn how to calculate MM_PBSA energy of some
MD period. However, in references sometimes there appears large MM_PBSA
energies in one plot. For example, in this article (
http://pubs.acs.org/doi/abs/10.1021/ci100275a), figure 5 gives an example.
Calculate one by one is obviously unpractical when manipulation. So I want
to know how I can produce MM_PBSA energy in a simple way. Please advise.
Thx and Rgds,
C.Q.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 16 2013 - 18:00:02 PDT
