Dear all,
I read the chapter on GB in the Amber manual and understood that one can
do configurational entropy calculations using quasi-harmonic or normal
mode approximation. My question is if there is a part in the mmpbsa.py
script that approximates the entropy of hydrophobic interactions? I also
had a look at the OBC papers for gb=2 but could not find any information
if that is the case. Could you point me to the appropriate paper or
paragraph in the manual please?
cheers
Martin
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Received on Wed Jan 08 2020 - 06:30:03 PST
