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AMBER Archive (2004)Subject: Re: AMBER: Output of sander
From: David A. Case (case_at_scripps.edu)
On Wed, Dec 22, 2004, Harianto wrote:
> Could you explain me what 1-4VdW and 1-4EEL in the output files of sander?
"1-4" pairs are pairs of atoms that are connected by three covalent bonds.
> What command do you use to calculate parts of VdW (also Electrostatic)
The anal program can be used to generate some of these these decompositions;
....dac
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