Re: AMBER: E of amber calculations

From: Carlos Simmerling <>
Date: Thu, 15 Dec 2005 07:30:08 -0500

> Anyway, my ultimate question is if there is a way that we can simply
> compare stability/ energy of current conformation of the molecule.
not without averaging over all of the water configurations or else
replacing them with a continuum model. These are energies of the
entire system, not just the DNA.

> with big thanks in advance,
> Young Jin

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Received on Thu Dec 15 2005 - 12:53:00 PST
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