Hello everybody
I have a couple of questions. I have recently performed molecular
dynamic simulations on Amber and I am interested in obtaining the free
energy and entropic contribution of the complex formation, therefore I
have used the MMPBSA method to obtain both thermodynamic terms. However,
I am wondering how can I obtain the real free energy and entropy
contribution to binding? My question is because in the amber´s tutorial
I read that I have to keep in mind that both results are not equal to a
real one.
Greetings
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Received on Wed Apr 25 2012 - 20:00:03 PDT
