AMBER Archive (2009)

Subject: [AMBER] MM_PBSA decomposition pair question

From: Rubben Torella (rubben.torella_at_gmail.com)
Date: Fri Oct 02 2009 - 06:09:38 CDT

Hi, Amber users, I'm working on a protein-DNA system and I'm trying to
evaluate the relative binding energies between couples of residues.
I have seen that the file *.com.all.out encloses all the energies for every
residue pair, for every structure analyzed.
In this file, I don't understand which energetic contribution is shown for
every column. I think that the first column refers to the INT energy
contribution, but I'm not sure which column represents the VdW contribution
and so on.
Thank you very much for your "contribution".
Rubben Torella
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