[AMBER] results calculated by mmpbsa.pl and mmpbsa.py

From: <lidansa.mail.ustc.edu.cn>
Date: Thu, 1 Jul 2010 22:18:09 +0800 (CST)

Dear all：
         I calculated the binding free energy by using mmpbsa.pl and mmpbsa.py methods respectively，the values of delataG by the two approaches were almost the same, however, the values of the different energy terms have a considerable differences.why?
        the version of amber i use is amber10.
        thank you!
-linda

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 01 2010 - 07:30:08 PDT