---------- Forwarded message ----------
From: Binwu Zhao <bzhao.ncsu.edu>
Date: Sat, Jul 7, 2012 at 5:48 PM
Subject: Protein aggregation energy calculation
To: amber.ambermd.org
Dear Amber users:
I'm very new to MMPB/GBSA, I was wondering if there is a way to calculate
the free energy of a single aggregated polypeptide chain. Because that is
the only chain in my explicit water system. I try to learn MMPBSA's
protocol, but what comfuses me is that there are always Receptors Ligands
and Complex three parts. A simple system as mine, what should I do to
calculate the only energy within the one polypeptide chain?
I would really appreciate that if somebody could help me out.
-Binwu
--
Binwu Zhao
Dept of Chemical and Biomolecular Engineerig
NCSU
--
Binwu Zhao
Dept of Chemical and Biomolecular Engineerig
NCSU
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Received on Sat Jul 07 2012 - 15:00:02 PDT
