AMBER Archive (2005)

Subject: Re: AMBER: Polarization & energy analysis

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 18 2005 - 11:05:43 CST


On Fri, Nov 18, 2005, GUILBAUD Philippe 153683 wrote:
>
> Are there any tools allowing to perform energy analysis (anal like module ?)
> for simulations with polarization ?

Not that I am aware of. Note that polarization energies are not decomposable
into pair-wise terms, so the analysis of energy components is much more
complex.

...good luck...dac
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