AMBER Archive (2007)

Subject: Re: AMBER: energy calculation

From: David A. Case (case_at_scripps.edu)
Date: Tue Sep 25 2007 - 09:51:40 CDT

On Tue, Sep 25, 2007, gurpreet singh wrote:
>
> I am using Amber 9 and i want to calculate electrostatic energy between each
> pair of atoms in my protein
>
> I found that there was a module called ANAL in Amber 6 & 7 which can do such
> type of calculation.
>
> I did not find any such corresponding module in AMBER 9 ,

Please look in amber9/src/anal. But generally, this functionality has been
replaced by the "energy decomposition" facility in mm-pbsa.

...dac

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