Dear AMBER users,
I'm trying to calculate the binding energy of a ligand-protein complex using the MMPBSA script. The PBSA results are different with/without the free energy decomposition although they supposed to be the same..I'm using AMBER12...When i examine carefully, i noticed a new term, E dispersion introduced when i ran free energy decomposition, is this term is intentionally made as default in the MMPBSA uponenergy decomposition...???
Thanks in advance
Marawan
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Received on Mon Jun 18 2012 - 22:00:03 PDT
