Dear Bill,
Thanks your reply
Regards,
Aneesh
On Wed, Dec 8, 2010 at 1:46 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> > 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 Sat Dec 11 2010 - 02:30:03 PST
