> I am using Amber 9.0 for simulation. Using *ANAL* utility
> in Amber I am trying to see the electrostatic interaction energy between the
> two groups, say 1 and 2, contains residues which are not bonded to each
> other. Anal will output the electrostatic energy matrix as shown below,
> which is a sum of both 1-4 and non bonded interaction.
> ********************************************************************************************************************************************
> ELECTROSTATIC (N-B + 1-4) INTERACTION ENERGY MATRIX
If there is no bond between your groups, there would be no 1-4
component of the interaction. The title above does not claim
that there _are_ 1-4 interactions, only that they would be
included if present.
Bill
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Received on Wed Dec 08 2010 - 11:00:03 PST
