Broken Structure after reverting coarse-grained system to all-atom system

From: Rabeta Yeasmin (rabetayeasmin_at_gmail.com)
Date: Mon Jul 09 2018 - 13:38:42 CDT

Hi,

I have a protein-lipid system that I converted to a coarse-grained system
using residue-based coarse-graining method and run Steered MD and umbrella
sampling. After running around 350ns, I have reverted the last structure of
all windows to the all-atom system using the reverse-residue-based
coarse-gaining method. But I found the protein and lipid structure are
broken in the all-atom system. Is that am a usual thing?
Thanks.

Rabeta Yeasmin

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