[gmx-users] the result of the free energy

jane 348363213 at qq.com
Thu Apr 10 16:41:56 CEST 2014


Hi all,
when i calculate the free energy of a molecule, the result is as the picture
. i do not understand the true meaning. what is the relationship between
dH/d(lambda) the .xvg file got and the free energy ? and what is the meaning
of the lambda ? thank you in advance.
<http://gromacs.5086.x6.nabble.com/file/n5015785/Screenshot-2.png> 

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