From: Lara rajam <lara.4884.gmail.com>
Date: Wed, 23 Dec 2015 13:05:05 -0500

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 !
AMBER mailing list
Received on Wed Dec 23 2015 - 10:30:03 PST
Custom Search