Dear amber !
I have went through the published papers , about single residue energy
decomposition (SRED)
I would like to know what exactly single residue energy decomposition(SRED)
in amber ( MMPBSA), is per-residue contribution and single residue
decomposition are both same. Is it possible to do both in PBSA and GBSA ,
since the reported paper always says GBSA for SRED
If some explanation is given , it will help the understanding better.
thank you !
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Received on Wed Dec 23 2015 - 10:30:03 PST
