[AMBER] Pairwise-Decomposition Energy

From: Jag Silwal <jagsilwal.gmail.com>
Date: Mon, 14 Aug 2017 10:45:08 -0400

Dear all,

While calculating pair wise per-residue decomposition energy of a protein
complex, my data shows two significantly different energy for two a pari of
residue in the interface that were making hydrogen bond interactions. One
is aspartic acid and the other one is arginine. while decomposition energy
of Arg -Asp is about -10 kcal/mol the decompositon energy of Asp-Arg is
showing up as -0.6 kcal/mol.

 Is it supposed to be symmetrical value? I mean, aren't they supposed to be
close to each other if they are making hydrogen bond interactions at the

Any clarification would be appreciated.

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Received on Mon Aug 14 2017 - 08:00:03 PDT
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