[AMBER-Developers] Questions about tutorial pages for MMPBSA.py

From: Mengjuei Hsieh <mengjueh.uci.edu>
Date: Fri, 7 Jan 2011 02:14:52 -0800

Hi,

   In the tutorial pages for MMPBSA.py, we found that in the pages
 http://ambermd.org/tutorials/advanced/tutorial3/py_script/section1.htm
and
 http://ambermd.org/tutorials/advanced/tutorial3/py_script/section2.htm
, there is something weird in POISSON BOLTZMANN print-out tables, the
TOTAL energy should be the sum of the G gas + G solv, but the current
values are probably incorrect.

Best, 
--
Mengjuei Hsieh
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Received on Fri Jan 07 2011 - 02:30:03 PST
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