[AMBER] MMGBSA residue-wise decomposition

From: Rajeswari A. <rajeswari.biotech.gmail.com>
Date: Tue, 13 Mar 2012 17:12:53 +0530

Hi Amber Developers,

For my system when i did with idecomp 3 & 4, the total energy contribution
of the residues are different.

1. Is my calculation correct?
2. which method of decomposition should i use?
3. what is the reason for different total energy contribution of each
residue by different decomposition terms?

I am sending this query so many times since so long and awaiting for ur
response. Somebody from Amber developing team, please do reply.

Rajeswari A
Computational Biophysics lab, IIT madras
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Received on Tue Mar 13 2012 - 05:00:03 PDT
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